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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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/RRS-f9942d68/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RRS-f9942d68/inputs/seq.fa: 2 curr_seq: _UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG_ curr_seq: _CGCCAGUG_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UGUUGGUGGCGUCAAAAUCGCCGAGGCGUUCCCUGAAGGCCGGGGCAGCCCACAUGGAUGUGGGCUGAGGGCGCGUUUUACAGGGAUGUUACCUCGCGCCCGACCCGGUAGCCGUAAGGGAUAAGUCGAGGGCACCGCGCAGCGGCGAUUUUGUUCGCCAGAGCCCGGGGGUGCAGGGGGCGGCGGCGAUUGGCCGCCCCCUGCGCGCUCCUUG chainId: B, chainSeq: CGCCAGUG 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 214 nucleotides chain B contains 8 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: 1120 n_atoms_counter: 1120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 222.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 222.000000 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: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -890.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530239 (E_RNA) where: Base-Base interactions energy: -26.057 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -864.473121 where: bonds (distance) C4'-P energy: -215.690 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -162.998 flat angles P-C4'-P energy: -186.452 tors. eta vs tors. theta energy: -98.931 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1148.009948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.009948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.009948 (E_RNA) where: Base-Base interactions energy: -502.293 where: short stacking energy: -486.592 Base-Backbone interact. energy: 1.504 local terms energy: -647.220870 where: bonds (distance) C4'-P energy: -142.802 bonds (distance) P-C4' energy: -143.776 flat angles C4'-P-C4' energy: -153.148 flat angles P-C4'-P energy: -83.521 tors. eta vs tors. theta energy: -123.975 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1066.034294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.034294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.034294 (E_RNA) where: Base-Base interactions energy: -457.492 where: short stacking energy: -450.150 Base-Backbone interact. energy: 0.505 local terms energy: -609.046696 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -153.567 flat angles C4'-P-C4' energy: -139.087 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -98.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1003.894137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.894137 (E_RNA) where: Base-Base interactions energy: -424.579 where: short stacking energy: -417.644 Base-Backbone interact. energy: -0.208 local terms energy: -579.107698 where: bonds (distance) C4'-P energy: -138.345 bonds (distance) P-C4' energy: -127.742 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -80.419 tors. eta vs tors. theta energy: -87.108 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -966.824650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.824650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.824650 (E_RNA) where: Base-Base interactions energy: -405.619 where: short stacking energy: -405.619 Base-Backbone interact. energy: 0.132 local terms energy: -561.336850 where: bonds (distance) C4'-P energy: -138.578 bonds (distance) P-C4' energy: -130.195 flat angles C4'-P-C4' energy: -132.400 flat angles P-C4'-P energy: -65.199 tors. eta vs tors. theta energy: -94.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -901.577963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.577963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.577963 (E_RNA) where: Base-Base interactions energy: -58.494 where: short stacking energy: -58.494 Base-Backbone interact. energy: -0.000 local terms energy: -843.084092 where: bonds (distance) C4'-P energy: -199.094 bonds (distance) P-C4' energy: -192.231 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -183.776 tors. eta vs tors. theta energy: -102.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -908.416261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.416261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.416261 (E_RNA) where: Base-Base interactions energy: -171.285 where: short stacking energy: -171.285 Base-Backbone interact. energy: -0.000 local terms energy: -737.130574 where: bonds (distance) C4'-P energy: -155.051 bonds (distance) P-C4' energy: -145.408 flat angles C4'-P-C4' energy: -163.444 flat angles P-C4'-P energy: -166.061 tors. eta vs tors. theta energy: -107.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -899.732422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.732422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.732422 (E_RNA) where: Base-Base interactions energy: -38.554 where: short stacking energy: -38.554 Base-Backbone interact. energy: -0.000 local terms energy: -861.178664 where: bonds (distance) C4'-P energy: -212.428 bonds (distance) P-C4' energy: -198.842 flat angles C4'-P-C4' energy: -163.458 flat angles P-C4'-P energy: -185.833 tors. eta vs tors. theta energy: -100.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -901.023511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.023511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.023511 (E_RNA) where: Base-Base interactions energy: -65.345 where: short stacking energy: -65.345 Base-Backbone interact. energy: -0.000 local terms energy: -835.678736 where: bonds (distance) C4'-P energy: -196.875 bonds (distance) P-C4' energy: -188.415 flat angles C4'-P-C4' energy: -165.020 flat angles P-C4'-P energy: -183.269 tors. eta vs tors. theta energy: -102.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -901.642219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.642219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.642219 (E_RNA) where: Base-Base interactions energy: -39.668 where: short stacking energy: -39.668 Base-Backbone interact. energy: -0.000 local terms energy: -861.974183 where: bonds (distance) C4'-P energy: -213.786 bonds (distance) P-C4' energy: -198.845 flat angles C4'-P-C4' energy: -163.280 flat angles P-C4'-P energy: -185.767 tors. eta vs tors. theta energy: -100.296 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -909.842261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.842261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.842261 (E_RNA) where: Base-Base interactions energy: -157.911 where: short stacking energy: -157.911 Base-Backbone interact. energy: -0.000 local terms energy: -751.930706 where: bonds (distance) C4'-P energy: -146.922 bonds (distance) P-C4' energy: -165.160 flat angles C4'-P-C4' energy: -168.721 flat angles P-C4'-P energy: -162.345 tors. eta vs tors. theta energy: -108.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1198.776556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.776556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.776556 (E_RNA) where: Base-Base interactions energy: -536.729 where: short stacking energy: -531.589 Base-Backbone interact. energy: -0.060 local terms energy: -661.988348 where: bonds (distance) C4'-P energy: -142.354 bonds (distance) P-C4' energy: -148.238 flat angles C4'-P-C4' energy: -148.140 flat angles P-C4'-P energy: -90.840 tors. eta vs tors. theta energy: -132.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1124.813458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.813458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.813458 (E_RNA) where: Base-Base interactions energy: -523.079 where: short stacking energy: -491.227 Base-Backbone interact. energy: -0.986 local terms energy: -600.748118 where: bonds (distance) C4'-P energy: -131.193 bonds (distance) P-C4' energy: -134.099 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -110.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1046.383799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.383799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.383799 (E_RNA) where: Base-Base interactions energy: -445.662 where: short stacking energy: -440.528 Base-Backbone interact. energy: 2.080 local terms energy: -602.801599 where: bonds (distance) C4'-P energy: -132.241 bonds (distance) P-C4' energy: -136.921 flat angles C4'-P-C4' energy: -144.845 flat angles P-C4'-P energy: -88.047 tors. eta vs tors. theta energy: -100.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -926.891538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.891538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.891538 (E_RNA) where: Base-Base interactions energy: -390.479 where: short stacking energy: -380.130 Base-Backbone interact. energy: 2.029 local terms energy: -538.441665 where: bonds (distance) C4'-P energy: -140.591 bonds (distance) P-C4' energy: -117.362 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: -84.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -854.096696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.096696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.096696 (E_RNA) where: Base-Base interactions energy: -342.327 where: short stacking energy: -321.991 Base-Backbone interact. energy: 0.628 local terms energy: -512.397931 where: bonds (distance) C4'-P energy: -129.011 bonds (distance) P-C4' energy: -133.467 flat angles C4'-P-C4' energy: -125.038 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -55.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -834.623327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.623327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.623327 (E_RNA) where: Base-Base interactions energy: -362.113 where: short stacking energy: -317.289 Base-Backbone interact. energy: 2.355 local terms energy: -474.865262 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -125.747 flat angles C4'-P-C4' energy: -129.750 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -45.225 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: 3 Temperature: 1.200000 Total energy: -733.472531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.472531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.472531 (E_RNA) where: Base-Base interactions energy: -280.416 where: short stacking energy: -271.653 Base-Backbone interact. energy: 2.021 local terms energy: -455.077652 where: bonds (distance) C4'-P energy: -117.792 bonds (distance) P-C4' energy: -110.869 flat angles C4'-P-C4' energy: -119.571 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -38.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -695.128633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.128633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.128633 (E_RNA) where: Base-Base interactions energy: -278.340 where: short stacking energy: -260.277 Base-Backbone interact. energy: 1.507 local terms energy: -418.294881 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -122.060 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -66.837 tors. eta vs tors. theta energy: -22.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -599.289673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.289673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.289673 (E_RNA) where: Base-Base interactions energy: -223.609 where: short stacking energy: -199.418 Base-Backbone interact. energy: 1.237 local terms energy: -376.918520 where: bonds (distance) C4'-P energy: -93.859 bonds (distance) P-C4' energy: -134.613 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: 13.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -561.989734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.989734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.989734 (E_RNA) where: Base-Base interactions energy: -185.146 where: short stacking energy: -175.582 Base-Backbone interact. energy: 2.687 local terms energy: -379.531115 where: bonds (distance) C4'-P energy: -116.749 bonds (distance) P-C4' energy: -121.552 flat angles C4'-P-C4' energy: -103.234 flat angles P-C4'-P energy: -48.004 tors. eta vs tors. theta energy: 10.008 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1248.419069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.419069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.419069 (E_RNA) where: Base-Base interactions energy: -604.037 where: short stacking energy: -538.617 Base-Backbone interact. energy: -0.743 local terms energy: -643.639161 where: bonds (distance) C4'-P energy: -137.625 bonds (distance) P-C4' energy: -151.557 flat angles C4'-P-C4' energy: -143.333 flat angles P-C4'-P energy: -88.531 tors. eta vs tors. theta energy: -122.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1151.691275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.691275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.691275 (E_RNA) where: Base-Base interactions energy: -527.272 where: short stacking energy: -483.894 Base-Backbone interact. energy: -1.217 local terms energy: -623.202545 where: bonds (distance) C4'-P energy: -129.444 bonds (distance) P-C4' energy: -132.017 flat angles C4'-P-C4' energy: -154.947 flat angles P-C4'-P energy: -96.615 tors. eta vs tors. theta energy: -110.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1050.540670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.540670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.540670 (E_RNA) where: Base-Base interactions energy: -510.449 where: short stacking energy: -415.048 Base-Backbone interact. energy: -1.666 local terms energy: -538.425326 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -132.237 flat angles P-C4'-P energy: -84.751 tors. eta vs tors. theta energy: -75.059 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -939.051768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.051768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.051768 (E_RNA) where: Base-Base interactions energy: -395.716 where: short stacking energy: -380.389 Base-Backbone interact. energy: -0.574 local terms energy: -542.761118 where: bonds (distance) C4'-P energy: -127.273 bonds (distance) P-C4' energy: -126.260 flat angles C4'-P-C4' energy: -130.008 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -66.863 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -861.499704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.499704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.499704 (E_RNA) where: Base-Base interactions energy: -358.994 where: short stacking energy: -348.517 Base-Backbone interact. energy: -0.307 local terms energy: -502.197965 where: bonds (distance) C4'-P energy: -116.245 bonds (distance) P-C4' energy: -127.224 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -87.242 tors. eta vs tors. theta energy: -49.936 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: 4 Temperature: 1.150000 Total energy: -837.894834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.894834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.894834 (E_RNA) where: Base-Base interactions energy: -366.931 where: short stacking energy: -299.305 Base-Backbone interact. energy: 0.675 local terms energy: -471.639785 where: bonds (distance) C4'-P energy: -130.940 bonds (distance) P-C4' energy: -123.477 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -59.783 tors. eta vs tors. theta energy: -41.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -762.112093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.112093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.112093 (E_RNA) where: Base-Base interactions energy: -323.276 where: short stacking energy: -307.136 Base-Backbone interact. energy: 1.723 local terms energy: -440.559435 where: bonds (distance) C4'-P energy: -112.597 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -98.175 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -53.052 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -661.965201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.965201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.965201 (E_RNA) where: Base-Base interactions energy: -262.309 where: short stacking energy: -223.527 Base-Backbone interact. energy: 4.318 local terms energy: -403.974628 where: bonds (distance) C4'-P energy: -118.566 bonds (distance) P-C4' energy: -127.446 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -55.707 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -572.768441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.768441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.768441 (E_RNA) where: Base-Base interactions energy: -212.236 where: short stacking energy: -183.336 Base-Backbone interact. energy: 1.717 local terms energy: -362.248658 where: bonds (distance) C4'-P energy: -107.991 bonds (distance) P-C4' energy: -101.661 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: 7.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -593.158783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.158783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.158783 (E_RNA) where: Base-Base interactions energy: -214.000 where: short stacking energy: -166.074 Base-Backbone interact. energy: 2.363 local terms energy: -381.638379 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -103.764 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: 6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1298.036514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.036514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.036514 (E_RNA) where: Base-Base interactions energy: -620.555 where: short stacking energy: -580.307 Base-Backbone interact. energy: -1.923 local terms energy: -675.558773 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -131.694 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -143.854 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: 5 Temperature: 0.950000 Total energy: -1216.771169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.771169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.771169 (E_RNA) where: Base-Base interactions energy: -611.566 where: short stacking energy: -496.055 Base-Backbone interact. energy: -0.959 local terms energy: -604.245827 where: bonds (distance) C4'-P energy: -127.258 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -138.082 flat angles P-C4'-P energy: -98.020 tors. eta vs tors. theta energy: -95.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1108.608020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.608020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.608020 (E_RNA) where: Base-Base interactions energy: -536.804 where: short stacking energy: -454.555 Base-Backbone interact. energy: 3.161 local terms energy: -574.964348 where: bonds (distance) C4'-P energy: -133.071 bonds (distance) P-C4' energy: -128.835 flat angles C4'-P-C4' energy: -132.144 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -95.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -989.010157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.010157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.010157 (E_RNA) where: Base-Base interactions energy: -451.037 where: short stacking energy: -415.531 Base-Backbone interact. energy: 4.991 local terms energy: -542.964004 where: bonds (distance) C4'-P energy: -124.877 bonds (distance) P-C4' energy: -137.056 flat angles C4'-P-C4' energy: -137.612 flat angles P-C4'-P energy: -74.950 tors. eta vs tors. theta energy: -68.469 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -915.283044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.283044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.283044 (E_RNA) where: Base-Base interactions energy: -422.347 where: short stacking energy: -339.585 Base-Backbone interact. energy: -1.672 local terms energy: -491.263544 where: bonds (distance) C4'-P energy: -120.308 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -135.913 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -47.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -904.773601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.773601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.773601 (E_RNA) where: Base-Base interactions energy: -440.595 where: short stacking energy: -324.987 Base-Backbone interact. energy: 0.612 local terms energy: -464.790126 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -138.137 flat angles C4'-P-C4' energy: -110.835 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -36.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -720.276394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.276394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.276394 (E_RNA) where: Base-Base interactions energy: -269.420 where: short stacking energy: -255.706 Base-Backbone interact. energy: -1.124 local terms energy: -449.731942 where: bonds (distance) C4'-P energy: -110.950 bonds (distance) P-C4' energy: -125.423 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -28.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -721.960910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.960910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.960910 (E_RNA) where: Base-Base interactions energy: -328.482 where: short stacking energy: -257.410 Base-Backbone interact. energy: 2.761 local terms energy: -396.240389 where: bonds (distance) C4'-P energy: -115.188 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -109.073 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -605.791203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.791203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.791203 (E_RNA) where: Base-Base interactions energy: -218.959 where: short stacking energy: -164.947 Base-Backbone interact. energy: 3.608 local terms energy: -390.440184 where: bonds (distance) C4'-P energy: -118.921 bonds (distance) P-C4' energy: -117.640 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: 20.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -652.355379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.355379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.355379 (E_RNA) where: Base-Base interactions energy: -271.475 where: short stacking energy: -209.724 Base-Backbone interact. energy: 4.082 local terms energy: -384.962150 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -114.826 flat angles C4'-P-C4' energy: -89.758 flat angles P-C4'-P energy: -65.992 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1295.358017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.358017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.358017 (E_RNA) where: Base-Base interactions energy: -612.800 where: short stacking energy: -547.741 Base-Backbone interact. energy: 0.182 local terms energy: -682.739412 where: bonds (distance) C4'-P energy: -141.683 bonds (distance) P-C4' energy: -160.112 flat angles C4'-P-C4' energy: -140.737 flat angles P-C4'-P energy: -96.954 tors. eta vs tors. theta energy: -143.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1233.181914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.181914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.181914 (E_RNA) where: Base-Base interactions energy: -622.004 where: short stacking energy: -499.830 Base-Backbone interact. energy: -0.886 local terms energy: -610.292095 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -132.466 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -106.753 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1143.875321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.875321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.875321 (E_RNA) where: Base-Base interactions energy: -572.478 where: short stacking energy: -416.372 Base-Backbone interact. energy: -1.712 local terms energy: -569.684810 where: bonds (distance) C4'-P energy: -140.730 bonds (distance) P-C4' energy: -121.931 flat angles C4'-P-C4' energy: -142.296 flat angles P-C4'-P energy: -89.646 tors. eta vs tors. theta energy: -75.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1057.079405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.079405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.079405 (E_RNA) where: Base-Base interactions energy: -526.099 where: short stacking energy: -409.568 Base-Backbone interact. energy: 0.770 local terms energy: -531.750459 where: bonds (distance) C4'-P energy: -113.152 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -141.156 flat angles P-C4'-P energy: -69.830 tors. eta vs tors. theta energy: -69.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1037.699990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.699990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.699990 (E_RNA) where: Base-Base interactions energy: -539.477 where: short stacking energy: -314.147 Base-Backbone interact. energy: -3.197 local terms energy: -495.025331 where: bonds (distance) C4'-P energy: -122.005 bonds (distance) P-C4' energy: -130.977 flat angles C4'-P-C4' energy: -126.987 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -58.859 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -856.035255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.035255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.035255 (E_RNA) where: Base-Base interactions energy: -357.093 where: short stacking energy: -282.293 Base-Backbone interact. energy: -0.909 local terms energy: -498.032635 where: bonds (distance) C4'-P energy: -144.106 bonds (distance) P-C4' energy: -123.648 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -40.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -824.749839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.749839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.749839 (E_RNA) where: Base-Base interactions energy: -387.058 where: short stacking energy: -298.157 Base-Backbone interact. energy: 0.115 local terms energy: -437.806243 where: bonds (distance) C4'-P energy: -98.550 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -132.818 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -20.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -732.345708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.345708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.345708 (E_RNA) where: Base-Base interactions energy: -322.720 where: short stacking energy: -246.578 Base-Backbone interact. energy: -0.122 local terms energy: -409.503494 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -20.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -643.756994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.756994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.756994 (E_RNA) where: Base-Base interactions energy: -277.692 where: short stacking energy: -221.496 Base-Backbone interact. energy: -0.756 local terms energy: -365.308618 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -111.183 flat angles C4'-P-C4' energy: -116.333 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -565.605003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.605003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.605003 (E_RNA) where: Base-Base interactions energy: -208.610 where: short stacking energy: -162.858 Base-Backbone interact. energy: 1.008 local terms energy: -358.002675 where: bonds (distance) C4'-P energy: -121.279 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -88.661 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: 14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1300.407364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.407364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.407364 (E_RNA) where: Base-Base interactions energy: -654.205 where: short stacking energy: -562.251 Base-Backbone interact. energy: 0.897 local terms energy: -647.098463 where: bonds (distance) C4'-P energy: -127.258 bonds (distance) P-C4' energy: -144.349 flat angles C4'-P-C4' energy: -135.711 flat angles P-C4'-P energy: -98.347 tors. eta vs tors. theta energy: -141.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1218.463692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.463692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.463692 (E_RNA) where: Base-Base interactions energy: -644.702 where: short stacking energy: -460.368 Base-Backbone interact. energy: 1.158 local terms energy: -574.919396 where: bonds (distance) C4'-P energy: -119.501 bonds (distance) P-C4' energy: -125.943 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -92.625 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1131.753962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.753962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.753962 (E_RNA) where: Base-Base interactions energy: -592.640 where: short stacking energy: -390.522 Base-Backbone interact. energy: -0.569 local terms energy: -538.544862 where: bonds (distance) C4'-P energy: -128.819 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -67.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1201.561812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.561812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.561812 (E_RNA) where: Base-Base interactions energy: -648.200 where: short stacking energy: -382.450 Base-Backbone interact. energy: -0.636 local terms energy: -552.726280 where: bonds (distance) C4'-P energy: -128.452 bonds (distance) P-C4' energy: -137.592 flat angles C4'-P-C4' energy: -133.361 flat angles P-C4'-P energy: -80.342 tors. eta vs tors. theta energy: -72.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -976.615762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.615762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.615762 (E_RNA) where: Base-Base interactions energy: -471.197 where: short stacking energy: -329.749 Base-Backbone interact. energy: -1.189 local terms energy: -504.229791 where: bonds (distance) C4'-P energy: -121.788 bonds (distance) P-C4' energy: -129.140 flat angles C4'-P-C4' energy: -142.809 flat angles P-C4'-P energy: -56.141 tors. eta vs tors. theta energy: -54.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -918.208433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.208433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.208433 (E_RNA) where: Base-Base interactions energy: -434.505 where: short stacking energy: -322.073 Base-Backbone interact. energy: 0.416 local terms energy: -484.119200 where: bonds (distance) C4'-P energy: -130.694 bonds (distance) P-C4' energy: -128.839 flat angles C4'-P-C4' energy: -114.340 flat angles P-C4'-P energy: -64.086 tors. eta vs tors. theta energy: -46.160 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: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1060.164158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.164158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.164158 (E_RNA) where: Base-Base interactions energy: -606.412 where: short stacking energy: -331.139 Base-Backbone interact. energy: 3.773 local terms energy: -457.525325 where: bonds (distance) C4'-P energy: -102.974 bonds (distance) P-C4' energy: -119.731 flat angles C4'-P-C4' energy: -129.574 flat angles P-C4'-P energy: -61.911 tors. eta vs tors. theta energy: -43.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -752.330301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.330301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.330301 (E_RNA) where: Base-Base interactions energy: -344.457 where: short stacking energy: -264.075 Base-Backbone interact. energy: -1.194 local terms energy: -406.679078 where: bonds (distance) C4'-P energy: -114.149 bonds (distance) P-C4' energy: -115.844 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -25.114 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: 7 Temperature: 1.300000 Total energy: -685.913593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.913593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.913593 (E_RNA) where: Base-Base interactions energy: -323.293 where: short stacking energy: -224.398 Base-Backbone interact. energy: 4.133 local terms energy: -366.753763 where: bonds (distance) C4'-P energy: -94.386 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -109.743 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -616.004316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.004316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.004316 (E_RNA) where: Base-Base interactions energy: -284.185 where: short stacking energy: -204.777 Base-Backbone interact. energy: 6.054 local terms energy: -337.872668 where: bonds (distance) C4'-P energy: -92.556 bonds (distance) P-C4' energy: -117.109 flat angles C4'-P-C4' energy: -78.028 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1348.481299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.481299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.481299 (E_RNA) where: Base-Base interactions energy: -675.789 where: short stacking energy: -575.355 Base-Backbone interact. energy: -2.554 local terms energy: -670.138162 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -147.706 flat angles C4'-P-C4' energy: -151.709 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -146.041 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: 8 Temperature: 0.950000 Total energy: -1319.386150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.386150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.386150 (E_RNA) where: Base-Base interactions energy: -695.075 where: short stacking energy: -504.999 Base-Backbone interact. energy: 5.379 local terms energy: -629.690310 where: bonds (distance) C4'-P energy: -129.008 bonds (distance) P-C4' energy: -151.414 flat angles C4'-P-C4' energy: -137.522 flat angles P-C4'-P energy: -95.903 tors. eta vs tors. theta energy: -115.843 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: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1373.148718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.148718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.148718 (E_RNA) where: Base-Base interactions energy: -776.103 where: short stacking energy: -447.526 Base-Backbone interact. energy: -0.130 local terms energy: -596.916130 where: bonds (distance) C4'-P energy: -129.810 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -129.851 flat angles P-C4'-P energy: -99.176 tors. eta vs tors. theta energy: -100.964 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1066.891925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.891925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.891925 (E_RNA) where: Base-Base interactions energy: -512.643 where: short stacking energy: -380.856 Base-Backbone interact. energy: -0.966 local terms energy: -553.282830 where: bonds (distance) C4'-P energy: -127.588 bonds (distance) P-C4' energy: -133.746 flat angles C4'-P-C4' energy: -127.794 flat angles P-C4'-P energy: -91.817 tors. eta vs tors. theta energy: -72.338 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: 8 Temperature: 1.100000 Total energy: -936.780272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.780272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.780272 (E_RNA) where: Base-Base interactions energy: -436.254 where: short stacking energy: -358.921 Base-Backbone interact. energy: -0.875 local terms energy: -499.650513 where: bonds (distance) C4'-P energy: -100.088 bonds (distance) P-C4' energy: -142.711 flat angles C4'-P-C4' energy: -112.422 flat angles P-C4'-P energy: -80.099 tors. eta vs tors. theta energy: -64.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -942.925341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.925341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.925341 (E_RNA) where: Base-Base interactions energy: -455.467 where: short stacking energy: -330.405 Base-Backbone interact. energy: -0.868 local terms energy: -486.590106 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -136.432 flat angles C4'-P-C4' energy: -120.123 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -39.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1175.153742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.153742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.153742 (E_RNA) where: Base-Base interactions energy: -685.610 where: short stacking energy: -375.194 Base-Backbone interact. energy: -2.573 local terms energy: -486.970770 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -57.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -712.540032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.540032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.540032 (E_RNA) where: Base-Base interactions energy: -307.567 where: short stacking energy: -236.270 Base-Backbone interact. energy: 1.308 local terms energy: -406.280467 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -121.487 flat angles C4'-P-C4' energy: -91.611 flat angles P-C4'-P energy: -77.707 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -627.626057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.626057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.626057 (E_RNA) where: Base-Base interactions energy: -244.681 where: short stacking energy: -206.451 Base-Backbone interact. energy: 1.924 local terms energy: -384.868292 where: bonds (distance) C4'-P energy: -114.775 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -95.848 flat angles P-C4'-P energy: -72.609 tors. eta vs tors. theta energy: 15.853 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -570.543772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.543772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.543772 (E_RNA) where: Base-Base interactions energy: -211.028 where: short stacking energy: -185.571 Base-Backbone interact. energy: 3.190 local terms energy: -362.705694 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -88.450 flat angles P-C4'-P energy: -54.547 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: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1359.726961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.726961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.726961 (E_RNA) where: Base-Base interactions energy: -685.370 where: short stacking energy: -576.962 Base-Backbone interact. energy: 1.687 local terms energy: -676.044196 where: bonds (distance) C4'-P energy: -142.439 bonds (distance) P-C4' energy: -147.044 flat angles C4'-P-C4' energy: -140.161 flat angles P-C4'-P energy: -96.578 tors. eta vs tors. theta energy: -149.823 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: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1497.617436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.617436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.617436 (E_RNA) where: Base-Base interactions energy: -899.083 where: short stacking energy: -488.871 Base-Backbone interact. energy: -1.086 local terms energy: -597.448917 where: bonds (distance) C4'-P energy: -144.706 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -133.716 flat angles P-C4'-P energy: -86.100 tors. eta vs tors. theta energy: -98.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1272.542973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.542973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.542973 (E_RNA) where: Base-Base interactions energy: -682.579 where: short stacking energy: -489.457 Base-Backbone interact. energy: -0.509 local terms energy: -589.455835 where: bonds (distance) C4'-P energy: -125.408 bonds (distance) P-C4' energy: -132.297 flat angles C4'-P-C4' energy: -125.675 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -107.239 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: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1152.081574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.081574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.081574 (E_RNA) where: Base-Base interactions energy: -610.370 where: short stacking energy: -430.542 Base-Backbone interact. energy: -2.515 local terms energy: -539.196539 where: bonds (distance) C4'-P energy: -119.432 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -73.225 tors. eta vs tors. theta energy: -85.993 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1033.038534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.038534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.038534 (E_RNA) where: Base-Base interactions energy: -516.309 where: short stacking energy: -371.718 Base-Backbone interact. energy: 0.049 local terms energy: -516.778730 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -120.356 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -65.230 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1253.920746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.920746 (E_RNA) where: Base-Base interactions energy: -739.166 where: short stacking energy: -395.979 Base-Backbone interact. energy: -0.889 local terms energy: -513.865175 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -119.469 flat angles C4'-P-C4' energy: -118.994 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -73.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -888.323160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.323160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.323160 (E_RNA) where: Base-Base interactions energy: -446.386 where: short stacking energy: -288.773 Base-Backbone interact. energy: 0.290 local terms energy: -442.226996 where: bonds (distance) C4'-P energy: -100.993 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -122.873 flat angles P-C4'-P energy: -59.228 tors. eta vs tors. theta energy: -28.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -739.234825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.234825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.234825 (E_RNA) where: Base-Base interactions energy: -335.026 where: short stacking energy: -254.591 Base-Backbone interact. energy: -1.159 local terms energy: -403.050338 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -135.542 flat angles C4'-P-C4' energy: -92.165 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -16.109 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: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -643.126303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.126303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.126303 (E_RNA) where: Base-Base interactions energy: -278.517 where: short stacking energy: -211.721 Base-Backbone interact. energy: 3.398 local terms energy: -368.007904 where: bonds (distance) C4'-P energy: -111.955 bonds (distance) P-C4' energy: -120.920 flat angles C4'-P-C4' energy: -94.828 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -595.978610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.978610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.978610 (E_RNA) where: Base-Base interactions energy: -243.346 where: short stacking energy: -209.201 Base-Backbone interact. energy: 3.411 local terms energy: -356.043823 where: bonds (distance) C4'-P energy: -107.812 bonds (distance) P-C4' energy: -114.042 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: 6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1632.065315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.065315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.065315 (E_RNA) where: Base-Base interactions energy: -975.264 where: short stacking energy: -570.803 Base-Backbone interact. energy: -4.311 local terms energy: -652.490409 where: bonds (distance) C4'-P energy: -136.463 bonds (distance) P-C4' energy: -141.988 flat angles C4'-P-C4' energy: -152.255 flat angles P-C4'-P energy: -84.575 tors. eta vs tors. theta energy: -137.208 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: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1391.400077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.400077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.400077 (E_RNA) where: Base-Base interactions energy: -744.684 where: short stacking energy: -528.447 Base-Backbone interact. energy: -2.092 local terms energy: -644.624236 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -146.588 flat angles C4'-P-C4' energy: -157.963 flat angles P-C4'-P energy: -100.085 tors. eta vs tors. theta energy: -115.343 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: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1315.025353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.025353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.025353 (E_RNA) where: Base-Base interactions energy: -757.323 where: short stacking energy: -452.094 Base-Backbone interact. energy: 0.638 local terms energy: -558.340371 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -136.284 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -89.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1111.726030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.726030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.726030 (E_RNA) where: Base-Base interactions energy: -585.583 where: short stacking energy: -379.993 Base-Backbone interact. energy: -2.361 local terms energy: -523.782524 where: bonds (distance) C4'-P energy: -107.917 bonds (distance) P-C4' energy: -140.406 flat angles C4'-P-C4' energy: -130.392 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -66.794 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1301.625571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.625571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.625571 (E_RNA) where: Base-Base interactions energy: -812.741 where: short stacking energy: -396.255 Base-Backbone interact. energy: -0.284 local terms energy: -488.599993 where: bonds (distance) C4'-P energy: -124.261 bonds (distance) P-C4' energy: -125.803 flat angles C4'-P-C4' energy: -106.547 flat angles P-C4'-P energy: -73.960 tors. eta vs tors. theta energy: -58.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -940.591941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.591941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.591941 (E_RNA) where: Base-Base interactions energy: -447.235 where: short stacking energy: -348.363 Base-Backbone interact. energy: 0.644 local terms energy: -494.001671 where: bonds (distance) C4'-P energy: -117.554 bonds (distance) P-C4' energy: -136.555 flat angles C4'-P-C4' energy: -111.911 flat angles P-C4'-P energy: -64.008 tors. eta vs tors. theta energy: -63.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -813.814943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.814943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.814943 (E_RNA) where: Base-Base interactions energy: -394.288 where: short stacking energy: -277.449 Base-Backbone interact. energy: 0.363 local terms energy: -419.889820 where: bonds (distance) C4'-P energy: -107.999 bonds (distance) P-C4' energy: -144.264 flat angles C4'-P-C4' energy: -100.476 flat angles P-C4'-P energy: -52.290 tors. eta vs tors. theta energy: -14.861 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: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -785.470612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.470612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.470612 (E_RNA) where: Base-Base interactions energy: -352.386 where: short stacking energy: -242.951 Base-Backbone interact. energy: -0.038 local terms energy: -433.046882 where: bonds (distance) C4'-P energy: -130.973 bonds (distance) P-C4' energy: -99.750 flat angles C4'-P-C4' energy: -112.831 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -22.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -832.223520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.223520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.223520 (E_RNA) where: Base-Base interactions energy: -442.173 where: short stacking energy: -264.971 Base-Backbone interact. energy: -0.090 local terms energy: -389.960070 where: bonds (distance) C4'-P energy: -106.706 bonds (distance) P-C4' energy: -102.724 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -57.435 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -583.084766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.084766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.084766 (E_RNA) where: Base-Base interactions energy: -224.835 where: short stacking energy: -208.232 Base-Backbone interact. energy: 1.666 local terms energy: -359.915520 where: bonds (distance) C4'-P energy: -111.174 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -89.804 flat angles P-C4'-P energy: -51.061 tors. eta vs tors. theta energy: 17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1739.533456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.533456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.533456 (E_RNA) where: Base-Base interactions energy: -1080.088 where: short stacking energy: -560.749 Base-Backbone interact. energy: -2.941 local terms energy: -656.504160 where: bonds (distance) C4'-P energy: -130.905 bonds (distance) P-C4' energy: -149.499 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -85.054 tors. eta vs tors. theta energy: -134.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1372.901606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.901606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.901606 (E_RNA) where: Base-Base interactions energy: -787.835 where: short stacking energy: -477.664 Base-Backbone interact. energy: -0.028 local terms energy: -585.038712 where: bonds (distance) C4'-P energy: -126.124 bonds (distance) P-C4' energy: -139.765 flat angles C4'-P-C4' energy: -143.763 flat angles P-C4'-P energy: -89.832 tors. eta vs tors. theta energy: -85.556 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1306.723289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.723289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.723289 (E_RNA) where: Base-Base interactions energy: -707.127 where: short stacking energy: -498.006 Base-Backbone interact. energy: -1.274 local terms energy: -598.322847 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -139.981 flat angles C4'-P-C4' energy: -141.315 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -107.184 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: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1586.060489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.060489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.060489 (E_RNA) where: Base-Base interactions energy: -990.765 where: short stacking energy: -497.990 Base-Backbone interact. energy: -5.519 local terms energy: -589.776765 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -141.666 flat angles C4'-P-C4' energy: -142.113 flat angles P-C4'-P energy: -84.433 tors. eta vs tors. theta energy: -111.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1125.863226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.863226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.863226 (E_RNA) where: Base-Base interactions energy: -617.012 where: short stacking energy: -397.801 Base-Backbone interact. energy: 2.481 local terms energy: -511.332624 where: bonds (distance) C4'-P energy: -121.148 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -132.959 flat angles P-C4'-P energy: -71.775 tors. eta vs tors. theta energy: -59.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -951.933526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.933526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.933526 (E_RNA) where: Base-Base interactions energy: -483.852 where: short stacking energy: -300.438 Base-Backbone interact. energy: -1.336 local terms energy: -466.745177 where: bonds (distance) C4'-P energy: -122.116 bonds (distance) P-C4' energy: -123.747 flat angles C4'-P-C4' energy: -119.949 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: -36.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -908.005821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.005821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.005821 (E_RNA) where: Base-Base interactions energy: -453.066 where: short stacking energy: -289.058 Base-Backbone interact. energy: -0.887 local terms energy: -454.052680 where: bonds (distance) C4'-P energy: -120.607 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -111.719 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -29.007 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: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -987.411107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.411107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.411107 (E_RNA) where: Base-Base interactions energy: -551.379 where: short stacking energy: -302.568 Base-Backbone interact. energy: -2.509 local terms energy: -433.522829 where: bonds (distance) C4'-P energy: -107.809 bonds (distance) P-C4' energy: -129.051 flat angles C4'-P-C4' energy: -101.131 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -30.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -847.661808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.661808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.661808 (E_RNA) where: Base-Base interactions energy: -428.443 where: short stacking energy: -227.720 Base-Backbone interact. energy: -0.251 local terms energy: -418.966940 where: bonds (distance) C4'-P energy: -109.165 bonds (distance) P-C4' energy: -134.559 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -24.363 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -588.613836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.613836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.613836 (E_RNA) where: Base-Base interactions energy: -270.295 where: short stacking energy: -193.068 Base-Backbone interact. energy: 6.508 local terms energy: -324.826943 where: bonds (distance) C4'-P energy: -114.848 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -90.880 flat angles P-C4'-P energy: -48.470 tors. eta vs tors. theta energy: 20.956 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1748.498225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.498225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.498225 (E_RNA) where: Base-Base interactions energy: -1106.164 where: short stacking energy: -578.571 Base-Backbone interact. energy: -1.740 local terms energy: -640.594985 where: bonds (distance) C4'-P energy: -133.746 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -146.366 flat angles P-C4'-P energy: -95.192 tors. eta vs tors. theta energy: -124.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1468.173418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.173418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.173418 (E_RNA) where: Base-Base interactions energy: -859.700 where: short stacking energy: -494.868 Base-Backbone interact. energy: -0.339 local terms energy: -608.134531 where: bonds (distance) C4'-P energy: -135.936 bonds (distance) P-C4' energy: -138.357 flat angles C4'-P-C4' energy: -140.747 flat angles P-C4'-P energy: -86.604 tors. eta vs tors. theta energy: -106.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1733.199841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.199841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.199841 (E_RNA) where: Base-Base interactions energy: -1142.122 where: short stacking energy: -552.035 Base-Backbone interact. energy: 2.679 local terms energy: -593.757135 where: bonds (distance) C4'-P energy: -133.374 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -137.438 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: -112.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1197.711677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.711677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.711677 (E_RNA) where: Base-Base interactions energy: -655.395 where: short stacking energy: -436.829 Base-Backbone interact. energy: -1.048 local terms energy: -541.268276 where: bonds (distance) C4'-P energy: -112.073 bonds (distance) P-C4' energy: -140.935 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -82.716 tors. eta vs tors. theta energy: -71.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1155.959800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.959800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.959800 (E_RNA) where: Base-Base interactions energy: -604.475 where: short stacking energy: -361.488 Base-Backbone interact. energy: -1.317 local terms energy: -550.167540 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -137.653 flat angles C4'-P-C4' energy: -127.823 flat angles P-C4'-P energy: -96.511 tors. eta vs tors. theta energy: -48.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1004.963752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.963752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.963752 (E_RNA) where: Base-Base interactions energy: -522.908 where: short stacking energy: -358.555 Base-Backbone interact. energy: 1.706 local terms energy: -483.762183 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -125.467 flat angles C4'-P-C4' energy: -120.288 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -52.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1104.501374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.501374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.501374 (E_RNA) where: Base-Base interactions energy: -661.948 where: short stacking energy: -370.224 Base-Backbone interact. energy: 1.148 local terms energy: -443.701072 where: bonds (distance) C4'-P energy: -103.935 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -107.548 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -68.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -905.165624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.165624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.165624 (E_RNA) where: Base-Base interactions energy: -481.712 where: short stacking energy: -279.072 Base-Backbone interact. energy: -1.693 local terms energy: -421.760966 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -105.618 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -33.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -833.649518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.649518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.649518 (E_RNA) where: Base-Base interactions energy: -421.763 where: short stacking energy: -253.888 Base-Backbone interact. energy: -2.020 local terms energy: -409.866510 where: bonds (distance) C4'-P energy: -104.284 bonds (distance) P-C4' energy: -116.099 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -49.196 tors. eta vs tors. theta energy: -31.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -617.870694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.870694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.870694 (E_RNA) where: Base-Base interactions energy: -271.410 where: short stacking energy: -176.431 Base-Backbone interact. energy: 4.123 local terms energy: -350.583849 where: bonds (distance) C4'-P energy: -100.776 bonds (distance) P-C4' energy: -125.702 flat angles C4'-P-C4' energy: -87.283 flat angles P-C4'-P energy: -49.844 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: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1766.373929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.373929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.373929 (E_RNA) where: Base-Base interactions energy: -1114.522 where: short stacking energy: -554.135 Base-Backbone interact. energy: -3.180 local terms energy: -648.672048 where: bonds (distance) C4'-P energy: -134.669 bonds (distance) P-C4' energy: -144.825 flat angles C4'-P-C4' energy: -145.565 flat angles P-C4'-P energy: -93.224 tors. eta vs tors. theta energy: -130.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1795.756867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.756867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.756867 (E_RNA) where: Base-Base interactions energy: -1178.003 where: short stacking energy: -555.441 Base-Backbone interact. energy: -3.721 local terms energy: -614.032603 where: bonds (distance) C4'-P energy: -128.016 bonds (distance) P-C4' energy: -134.512 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -100.561 tors. eta vs tors. theta energy: -119.903 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1362.124608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.124608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.124608 (E_RNA) where: Base-Base interactions energy: -798.133 where: short stacking energy: -464.049 Base-Backbone interact. energy: -2.175 local terms energy: -561.816993 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -139.280 flat angles P-C4'-P energy: -75.571 tors. eta vs tors. theta energy: -82.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1274.010239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.010239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.010239 (E_RNA) where: Base-Base interactions energy: -747.188 where: short stacking energy: -428.919 Base-Backbone interact. energy: -1.134 local terms energy: -525.687926 where: bonds (distance) C4'-P energy: -113.141 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -128.824 flat angles P-C4'-P energy: -83.914 tors. eta vs tors. theta energy: -80.368 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: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1119.087532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.087532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.087532 (E_RNA) where: Base-Base interactions energy: -587.603 where: short stacking energy: -365.946 Base-Backbone interact. energy: 4.047 local terms energy: -535.531458 where: bonds (distance) C4'-P energy: -114.979 bonds (distance) P-C4' energy: -135.851 flat angles C4'-P-C4' energy: -125.500 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -77.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1249.571481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.571481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.571481 (E_RNA) where: Base-Base interactions energy: -733.549 where: short stacking energy: -407.590 Base-Backbone interact. energy: 3.829 local terms energy: -520.052423 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -129.008 flat angles C4'-P-C4' energy: -131.464 flat angles P-C4'-P energy: -70.012 tors. eta vs tors. theta energy: -64.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.201 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1047.029382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.029382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.029382 (E_RNA) where: Base-Base interactions energy: -584.422 where: short stacking energy: -315.736 Base-Backbone interact. energy: -1.590 local terms energy: -461.017275 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -90.990 flat angles P-C4'-P energy: -80.011 tors. eta vs tors. theta energy: -51.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -927.180579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.180579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.180579 (E_RNA) where: Base-Base interactions energy: -528.623 where: short stacking energy: -281.080 Base-Backbone interact. energy: -5.147 local terms energy: -393.410103 where: bonds (distance) C4'-P energy: -110.114 bonds (distance) P-C4' energy: -120.366 flat angles C4'-P-C4' energy: -103.565 flat angles P-C4'-P energy: -47.570 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: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -787.874954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.874954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.874954 (E_RNA) where: Base-Base interactions energy: -377.566 where: short stacking energy: -221.172 Base-Backbone interact. energy: 1.417 local terms energy: -411.725935 where: bonds (distance) C4'-P energy: -112.372 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -601.668154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.668154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.668154 (E_RNA) where: Base-Base interactions energy: -244.945 where: short stacking energy: -206.532 Base-Backbone interact. energy: 8.524 local terms energy: -365.247235 where: bonds (distance) C4'-P energy: -100.804 bonds (distance) P-C4' energy: -124.001 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -58.467 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: 1, replica: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1902.561797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.561797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.561797 (E_RNA) where: Base-Base interactions energy: -1268.294 where: short stacking energy: -619.850 Base-Backbone interact. energy: -0.928 local terms energy: -633.340443 where: bonds (distance) C4'-P energy: -133.155 bonds (distance) P-C4' energy: -130.413 flat angles C4'-P-C4' energy: -143.972 flat angles P-C4'-P energy: -92.660 tors. eta vs tors. theta energy: -133.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1753.656410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.656410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.656410 (E_RNA) where: Base-Base interactions energy: -1129.268 where: short stacking energy: -581.906 Base-Backbone interact. energy: -1.781 local terms energy: -622.606880 where: bonds (distance) C4'-P energy: -121.498 bonds (distance) P-C4' energy: -129.730 flat angles C4'-P-C4' energy: -145.881 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -137.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1433.327382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.327382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.327382 (E_RNA) where: Base-Base interactions energy: -872.024 where: short stacking energy: -461.907 Base-Backbone interact. energy: -2.658 local terms energy: -558.645049 where: bonds (distance) C4'-P energy: -136.342 bonds (distance) P-C4' energy: -123.864 flat angles C4'-P-C4' energy: -134.069 flat angles P-C4'-P energy: -88.296 tors. eta vs tors. theta energy: -76.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1358.913486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.913486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.913486 (E_RNA) where: Base-Base interactions energy: -798.604 where: short stacking energy: -442.235 Base-Backbone interact. energy: -2.344 local terms energy: -557.965788 where: bonds (distance) C4'-P energy: -131.885 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -126.514 flat angles P-C4'-P energy: -76.778 tors. eta vs tors. theta energy: -95.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1390.171029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.171029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.171029 (E_RNA) where: Base-Base interactions energy: -853.463 where: short stacking energy: -446.484 Base-Backbone interact. energy: 2.524 local terms energy: -539.232779 where: bonds (distance) C4'-P energy: -121.359 bonds (distance) P-C4' energy: -120.535 flat angles C4'-P-C4' energy: -122.536 flat angles P-C4'-P energy: -85.145 tors. eta vs tors. theta energy: -89.658 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: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -986.271986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.271986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.271986 (E_RNA) where: Base-Base interactions energy: -507.362 where: short stacking energy: -321.183 Base-Backbone interact. energy: 0.170 local terms energy: -479.080072 where: bonds (distance) C4'-P energy: -123.244 bonds (distance) P-C4' energy: -114.267 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -55.824 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: 7, replica: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1025.313977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.313977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.313977 (E_RNA) where: Base-Base interactions energy: -533.788 where: short stacking energy: -325.161 Base-Backbone interact. energy: 0.501 local terms energy: -492.026526 where: bonds (distance) C4'-P energy: -114.354 bonds (distance) P-C4' energy: -119.460 flat angles C4'-P-C4' energy: -130.716 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -63.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -984.349015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.349015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.349015 (E_RNA) where: Base-Base interactions energy: -539.252 where: short stacking energy: -306.573 Base-Backbone interact. energy: -0.884 local terms energy: -444.213247 where: bonds (distance) C4'-P energy: -115.694 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -75.037 tors. eta vs tors. theta energy: -41.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -768.101023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.101023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.101023 (E_RNA) where: Base-Base interactions energy: -383.975 where: short stacking energy: -240.215 Base-Backbone interact. energy: 1.253 local terms energy: -385.378672 where: bonds (distance) C4'-P energy: -126.219 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -18.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -578.698120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.698120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.698120 (E_RNA) where: Base-Base interactions energy: -213.928 where: short stacking energy: -171.344 Base-Backbone interact. energy: 5.105 local terms energy: -369.874261 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -116.969 flat angles C4'-P-C4' energy: -99.845 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: 17.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1972.666830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.666830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.666830 (E_RNA) where: Base-Base interactions energy: -1342.387 where: short stacking energy: -620.933 Base-Backbone interact. energy: -0.859 local terms energy: -629.421272 where: bonds (distance) C4'-P energy: -124.550 bonds (distance) P-C4' energy: -136.549 flat angles C4'-P-C4' energy: -135.386 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: -139.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1792.128923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.128923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.128923 (E_RNA) where: Base-Base interactions energy: -1156.700 where: short stacking energy: -569.118 Base-Backbone interact. energy: -0.985 local terms energy: -634.444438 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -142.590 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -98.180 tors. eta vs tors. theta energy: -136.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1441.489433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.489433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.489433 (E_RNA) where: Base-Base interactions energy: -860.455 where: short stacking energy: -475.838 Base-Backbone interact. energy: -3.630 local terms energy: -577.404042 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -133.966 flat angles C4'-P-C4' energy: -134.139 flat angles P-C4'-P energy: -80.875 tors. eta vs tors. theta energy: -103.026 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: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1379.633786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.633786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.633786 (E_RNA) where: Base-Base interactions energy: -803.290 where: short stacking energy: -413.120 Base-Backbone interact. energy: -3.739 local terms energy: -572.604541 where: bonds (distance) C4'-P energy: -127.442 bonds (distance) P-C4' energy: -139.828 flat angles C4'-P-C4' energy: -144.194 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -93.765 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: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1446.482310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.482310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.482310 (E_RNA) where: Base-Base interactions energy: -896.639 where: short stacking energy: -400.627 Base-Backbone interact. energy: -2.520 local terms energy: -548.650542 where: bonds (distance) C4'-P energy: -119.111 bonds (distance) P-C4' energy: -129.776 flat angles C4'-P-C4' energy: -139.542 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: -74.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.328 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1133.683813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.683813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.683813 (E_RNA) where: Base-Base interactions energy: -631.916 where: short stacking energy: -369.087 Base-Backbone interact. energy: -1.571 local terms energy: -500.196285 where: bonds (distance) C4'-P energy: -117.397 bonds (distance) P-C4' energy: -133.116 flat angles C4'-P-C4' energy: -122.583 flat angles P-C4'-P energy: -53.580 tors. eta vs tors. theta energy: -73.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -805.535366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.535366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.535366 (E_RNA) where: Base-Base interactions energy: -382.859 where: short stacking energy: -275.854 Base-Backbone interact. energy: 1.589 local terms energy: -424.266214 where: bonds (distance) C4'-P energy: -121.918 bonds (distance) P-C4' energy: -106.066 flat angles C4'-P-C4' energy: -114.548 flat angles P-C4'-P energy: -62.185 tors. eta vs tors. theta energy: -19.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1167.706103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.706103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.706103 (E_RNA) where: Base-Base interactions energy: -686.025 where: short stacking energy: -321.525 Base-Backbone interact. energy: -2.624 local terms energy: -479.057041 where: bonds (distance) C4'-P energy: -123.375 bonds (distance) P-C4' energy: -120.451 flat angles C4'-P-C4' energy: -109.777 flat angles P-C4'-P energy: -76.960 tors. eta vs tors. theta energy: -48.494 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: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -799.464492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.464492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.464492 (E_RNA) where: Base-Base interactions energy: -419.335 where: short stacking energy: -242.215 Base-Backbone interact. energy: -2.480 local terms energy: -377.649650 where: bonds (distance) C4'-P energy: -124.063 bonds (distance) P-C4' energy: -104.650 flat angles C4'-P-C4' energy: -95.329 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: 8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -609.047079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.047079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.047079 (E_RNA) where: Base-Base interactions energy: -245.227 where: short stacking energy: -169.691 Base-Backbone interact. energy: -1.172 local terms energy: -362.647948 where: bonds (distance) C4'-P energy: -100.963 bonds (distance) P-C4' energy: -133.032 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -64.721 tors. eta vs tors. theta energy: 6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1993.342964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.342964 (E_RNA) where: Base-Base interactions energy: -1346.617 where: short stacking energy: -614.551 Base-Backbone interact. energy: 6.254 local terms energy: -652.979473 where: bonds (distance) C4'-P energy: -134.224 bonds (distance) P-C4' energy: -145.302 flat angles C4'-P-C4' energy: -147.038 flat angles P-C4'-P energy: -93.199 tors. eta vs tors. theta energy: -133.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1800.749131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.749131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.749131 (E_RNA) where: Base-Base interactions energy: -1189.272 where: short stacking energy: -570.091 Base-Backbone interact. energy: -0.032 local terms energy: -611.445486 where: bonds (distance) C4'-P energy: -133.641 bonds (distance) P-C4' energy: -141.367 flat angles C4'-P-C4' energy: -135.497 flat angles P-C4'-P energy: -74.265 tors. eta vs tors. theta energy: -126.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1487.605804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.605804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.605804 (E_RNA) where: Base-Base interactions energy: -888.068 where: short stacking energy: -488.559 Base-Backbone interact. energy: -2.530 local terms energy: -597.007923 where: bonds (distance) C4'-P energy: -130.389 bonds (distance) P-C4' energy: -140.739 flat angles C4'-P-C4' energy: -135.020 flat angles P-C4'-P energy: -86.477 tors. eta vs tors. theta energy: -104.382 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: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1424.161346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.161346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.161346 (E_RNA) where: Base-Base interactions energy: -888.769 where: short stacking energy: -467.079 Base-Backbone interact. energy: -2.149 local terms energy: -533.244156 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -112.233 flat angles C4'-P-C4' energy: -125.505 flat angles P-C4'-P energy: -80.350 tors. eta vs tors. theta energy: -87.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1584.405373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.405373 (E_RNA) where: Base-Base interactions energy: -1009.485 where: short stacking energy: -503.573 Base-Backbone interact. energy: -4.174 local terms energy: -570.746958 where: bonds (distance) C4'-P energy: -127.907 bonds (distance) P-C4' energy: -130.023 flat angles C4'-P-C4' energy: -124.708 flat angles P-C4'-P energy: -83.891 tors. eta vs tors. theta energy: -104.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1169.253902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.253902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.253902 (E_RNA) where: Base-Base interactions energy: -670.902 where: short stacking energy: -392.737 Base-Backbone interact. energy: -0.381 local terms energy: -497.970884 where: bonds (distance) C4'-P energy: -111.303 bonds (distance) P-C4' energy: -121.260 flat angles C4'-P-C4' energy: -115.889 flat angles P-C4'-P energy: -75.543 tors. eta vs tors. theta energy: -73.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1157.068818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.068818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.068818 (E_RNA) where: Base-Base interactions energy: -695.164 where: short stacking energy: -342.439 Base-Backbone interact. energy: -2.356 local terms energy: -459.604585 where: bonds (distance) C4'-P energy: -115.521 bonds (distance) P-C4' energy: -135.556 flat angles C4'-P-C4' energy: -100.529 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -30.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -770.371489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.371489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.371489 (E_RNA) where: Base-Base interactions energy: -346.070 where: short stacking energy: -251.576 Base-Backbone interact. energy: 2.070 local terms energy: -426.371588 where: bonds (distance) C4'-P energy: -98.271 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -119.121 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: -21.299 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: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -858.976738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.976738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.976738 (E_RNA) where: Base-Base interactions energy: -446.988 where: short stacking energy: -222.187 Base-Backbone interact. energy: -1.923 local terms energy: -410.064941 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -122.592 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -3.581 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: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -686.329005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.329005 (E_RNA) where: Base-Base interactions energy: -294.078 where: short stacking energy: -186.764 Base-Backbone interact. energy: 2.792 local terms energy: -395.042498 where: bonds (distance) C4'-P energy: -103.805 bonds (distance) P-C4' energy: -116.572 flat angles C4'-P-C4' energy: -109.143 flat angles P-C4'-P energy: -67.290 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1976.560959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.560959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.560959 (E_RNA) where: Base-Base interactions energy: -1317.825 where: short stacking energy: -579.051 Base-Backbone interact. energy: -0.503 local terms energy: -659.886038 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -141.714 flat angles C4'-P-C4' energy: -141.806 flat angles P-C4'-P energy: -113.149 tors. eta vs tors. theta energy: -132.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.653 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1830.810520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.810520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.810520 (E_RNA) where: Base-Base interactions energy: -1189.081 where: short stacking energy: -563.040 Base-Backbone interact. energy: -3.246 local terms energy: -638.483454 where: bonds (distance) C4'-P energy: -137.394 bonds (distance) P-C4' energy: -144.624 flat angles C4'-P-C4' energy: -140.942 flat angles P-C4'-P energy: -92.854 tors. eta vs tors. theta energy: -122.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1499.386777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.386777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.386777 (E_RNA) where: Base-Base interactions energy: -943.043 where: short stacking energy: -484.227 Base-Backbone interact. energy: -1.696 local terms energy: -554.648374 where: bonds (distance) C4'-P energy: -110.720 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -84.324 tors. eta vs tors. theta energy: -94.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1437.889922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.889922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.889922 (E_RNA) where: Base-Base interactions energy: -866.543 where: short stacking energy: -466.163 Base-Backbone interact. energy: -2.878 local terms energy: -568.468648 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -131.374 flat angles P-C4'-P energy: -92.724 tors. eta vs tors. theta energy: -88.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1474.455585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.455585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.455585 (E_RNA) where: Base-Base interactions energy: -918.576 where: short stacking energy: -490.260 Base-Backbone interact. energy: 0.891 local terms energy: -556.771375 where: bonds (distance) C4'-P energy: -128.734 bonds (distance) P-C4' energy: -119.412 flat angles C4'-P-C4' energy: -119.909 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -99.971 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: 17 Temperature: 1.150000 Total energy: -1178.080805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.080805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.080805 (E_RNA) where: Base-Base interactions energy: -661.164 where: short stacking energy: -372.827 Base-Backbone interact. energy: 1.957 local terms energy: -518.873388 where: bonds (distance) C4'-P energy: -102.404 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -131.452 flat angles P-C4'-P energy: -83.440 tors. eta vs tors. theta energy: -74.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1207.939073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.939073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.939073 (E_RNA) where: Base-Base interactions energy: -721.063 where: short stacking energy: -374.396 Base-Backbone interact. energy: 0.801 local terms energy: -487.676583 where: bonds (distance) C4'-P energy: -99.789 bonds (distance) P-C4' energy: -125.051 flat angles C4'-P-C4' energy: -113.923 flat angles P-C4'-P energy: -84.686 tors. eta vs tors. theta energy: -64.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -991.919912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.919912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.919912 (E_RNA) where: Base-Base interactions energy: -580.049 where: short stacking energy: -303.040 Base-Backbone interact. energy: -0.374 local terms energy: -411.497089 where: bonds (distance) C4'-P energy: -100.148 bonds (distance) P-C4' energy: -113.755 flat angles C4'-P-C4' energy: -111.352 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -34.563 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: 9, replica: 1 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -704.839018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.839018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.839018 (E_RNA) where: Base-Base interactions energy: -329.647 where: short stacking energy: -242.937 Base-Backbone interact. energy: 5.891 local terms energy: -381.082379 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -110.276 flat angles C4'-P-C4' energy: -100.224 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -8.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -764.934833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.934833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.934833 (E_RNA) where: Base-Base interactions energy: -366.960 where: short stacking energy: -229.009 Base-Backbone interact. energy: 12.393 local terms energy: -410.367740 where: bonds (distance) C4'-P energy: -120.452 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -61.814 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2007.541184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.541184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.541184 (E_RNA) where: Base-Base interactions energy: -1331.794 where: short stacking energy: -617.322 Base-Backbone interact. energy: -0.958 local terms energy: -674.789670 where: bonds (distance) C4'-P energy: -130.026 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -102.364 tors. eta vs tors. theta energy: -149.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1836.535908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.535908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.535908 (E_RNA) where: Base-Base interactions energy: -1182.257 where: short stacking energy: -542.432 Base-Backbone interact. energy: -3.248 local terms energy: -651.030718 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -142.622 flat angles C4'-P-C4' energy: -140.973 flat angles P-C4'-P energy: -102.364 tors. eta vs tors. theta energy: -126.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1569.748758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.748758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.748758 (E_RNA) where: Base-Base interactions energy: -967.811 where: short stacking energy: -502.403 Base-Backbone interact. energy: -1.247 local terms energy: -600.690646 where: bonds (distance) C4'-P energy: -122.607 bonds (distance) P-C4' energy: -144.401 flat angles C4'-P-C4' energy: -131.968 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -103.280 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: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1444.242358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.242358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.242358 (E_RNA) where: Base-Base interactions energy: -887.803 where: short stacking energy: -437.570 Base-Backbone interact. energy: -1.142 local terms energy: -555.296844 where: bonds (distance) C4'-P energy: -138.329 bonds (distance) P-C4' energy: -116.550 flat angles C4'-P-C4' energy: -120.537 flat angles P-C4'-P energy: -82.463 tors. eta vs tors. theta energy: -97.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1563.401788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.401788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.401788 (E_RNA) where: Base-Base interactions energy: -997.999 where: short stacking energy: -503.024 Base-Backbone interact. energy: 0.012 local terms energy: -565.508439 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -114.789 flat angles C4'-P-C4' energy: -123.827 flat angles P-C4'-P energy: -93.087 tors. eta vs tors. theta energy: -113.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.093 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1196.366272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.366272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.366272 (E_RNA) where: Base-Base interactions energy: -658.794 where: short stacking energy: -411.035 Base-Backbone interact. energy: -1.385 local terms energy: -536.187460 where: bonds (distance) C4'-P energy: -121.572 bonds (distance) P-C4' energy: -129.777 flat angles C4'-P-C4' energy: -121.343 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -65.979 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: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1231.286171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.286171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.286171 (E_RNA) where: Base-Base interactions energy: -741.800 where: short stacking energy: -372.793 Base-Backbone interact. energy: 0.553 local terms energy: -490.039517 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -128.096 flat angles C4'-P-C4' energy: -104.823 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1037.995306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.995306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.995306 (E_RNA) where: Base-Base interactions energy: -597.173 where: short stacking energy: -297.448 Base-Backbone interact. energy: 1.192 local terms energy: -442.013901 where: bonds (distance) C4'-P energy: -119.268 bonds (distance) P-C4' energy: -114.988 flat angles C4'-P-C4' energy: -115.625 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -37.086 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: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -845.812732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.812732 (E_RNA) where: Base-Base interactions energy: -458.805 where: short stacking energy: -281.421 Base-Backbone interact. energy: 2.994 local terms energy: -390.001498 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -123.975 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -49.783 tors. eta vs tors. theta energy: -15.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -626.263296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.263296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.263296 (E_RNA) where: Base-Base interactions energy: -254.657 where: short stacking energy: -176.630 Base-Backbone interact. energy: -0.449 local terms energy: -371.157638 where: bonds (distance) C4'-P energy: -126.177 bonds (distance) P-C4' energy: -118.233 flat angles C4'-P-C4' energy: -93.231 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: 19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1998.657372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.657372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.657372 (E_RNA) where: Base-Base interactions energy: -1327.381 where: short stacking energy: -599.913 Base-Backbone interact. energy: -2.084 local terms energy: -669.192259 where: bonds (distance) C4'-P energy: -132.499 bonds (distance) P-C4' energy: -145.916 flat angles C4'-P-C4' energy: -152.558 flat angles P-C4'-P energy: -89.169 tors. eta vs tors. theta energy: -149.050 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: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1907.900698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.900698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.900698 (E_RNA) where: Base-Base interactions energy: -1268.113 where: short stacking energy: -592.035 Base-Backbone interact. energy: -1.701 local terms energy: -638.086964 where: bonds (distance) C4'-P energy: -133.722 bonds (distance) P-C4' energy: -121.985 flat angles C4'-P-C4' energy: -153.018 flat angles P-C4'-P energy: -90.477 tors. eta vs tors. theta energy: -138.885 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: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1546.574268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.574268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.574268 (E_RNA) where: Base-Base interactions energy: -979.019 where: short stacking energy: -509.326 Base-Backbone interact. energy: 1.324 local terms energy: -568.879095 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -66.788 tors. eta vs tors. theta energy: -96.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1642.041240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.041240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.041240 (E_RNA) where: Base-Base interactions energy: -1062.690 where: short stacking energy: -499.471 Base-Backbone interact. energy: -5.816 local terms energy: -573.535744 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -112.780 flat angles C4'-P-C4' energy: -137.527 flat angles P-C4'-P energy: -82.506 tors. eta vs tors. theta energy: -113.161 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: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1401.500168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.500168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.500168 (E_RNA) where: Base-Base interactions energy: -850.490 where: short stacking energy: -404.052 Base-Backbone interact. energy: 1.078 local terms energy: -552.088074 where: bonds (distance) C4'-P energy: -132.651 bonds (distance) P-C4' energy: -132.953 flat angles C4'-P-C4' energy: -118.004 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -88.454 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: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1315.974956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.974956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.974956 (E_RNA) where: Base-Base interactions energy: -802.798 where: short stacking energy: -405.426 Base-Backbone interact. energy: -0.295 local terms energy: -512.881615 where: bonds (distance) C4'-P energy: -96.830 bonds (distance) P-C4' energy: -131.354 flat angles C4'-P-C4' energy: -125.267 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -84.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1176.057441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.057441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.057441 (E_RNA) where: Base-Base interactions energy: -687.874 where: short stacking energy: -385.539 Base-Backbone interact. energy: -1.489 local terms energy: -486.694066 where: bonds (distance) C4'-P energy: -108.295 bonds (distance) P-C4' energy: -105.625 flat angles C4'-P-C4' energy: -127.892 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -65.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1046.533732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.533732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.533732 (E_RNA) where: Base-Base interactions energy: -597.905 where: short stacking energy: -319.370 Base-Backbone interact. energy: 2.095 local terms energy: -450.723730 where: bonds (distance) C4'-P energy: -102.593 bonds (distance) P-C4' energy: -125.440 flat angles C4'-P-C4' energy: -102.580 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: -57.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -817.479175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.479175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.479175 (E_RNA) where: Base-Base interactions energy: -433.600 where: short stacking energy: -244.740 Base-Backbone interact. energy: -3.196 local terms energy: -380.683980 where: bonds (distance) C4'-P energy: -103.969 bonds (distance) P-C4' energy: -112.596 flat angles C4'-P-C4' energy: -92.452 flat angles P-C4'-P energy: -55.339 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -606.918604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.918604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.918604 (E_RNA) where: Base-Base interactions energy: -265.017 where: short stacking energy: -175.235 Base-Backbone interact. energy: 5.176 local terms energy: -347.078313 where: bonds (distance) C4'-P energy: -99.651 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -107.007 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: 19.553 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: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2031.684979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.684979 (E_RNA) where: Base-Base interactions energy: -1389.089 where: short stacking energy: -620.995 Base-Backbone interact. energy: 1.695 local terms energy: -644.290193 where: bonds (distance) C4'-P energy: -145.630 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -142.125 flat angles P-C4'-P energy: -96.361 tors. eta vs tors. theta energy: -138.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1897.584396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.584396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.584396 (E_RNA) where: Base-Base interactions energy: -1237.721 where: short stacking energy: -574.798 Base-Backbone interact. energy: -4.352 local terms energy: -655.511633 where: bonds (distance) C4'-P energy: -125.343 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -149.215 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -153.275 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: 9 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1782.003452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.003452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.003452 (E_RNA) where: Base-Base interactions energy: -1182.435 where: short stacking energy: -562.068 Base-Backbone interact. energy: 1.656 local terms energy: -602.014650 where: bonds (distance) C4'-P energy: -126.720 bonds (distance) P-C4' energy: -120.920 flat angles C4'-P-C4' energy: -151.274 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -125.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.790 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1470.543635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.543635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.543635 (E_RNA) where: Base-Base interactions energy: -933.077 where: short stacking energy: -450.081 Base-Backbone interact. energy: 0.443 local terms energy: -537.909243 where: bonds (distance) C4'-P energy: -122.975 bonds (distance) P-C4' energy: -120.278 flat angles C4'-P-C4' energy: -125.770 flat angles P-C4'-P energy: -81.466 tors. eta vs tors. theta energy: -87.420 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: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1398.741377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.741377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.741377 (E_RNA) where: Base-Base interactions energy: -874.489 where: short stacking energy: -431.997 Base-Backbone interact. energy: -3.165 local terms energy: -521.087292 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -136.391 flat angles C4'-P-C4' energy: -113.243 flat angles P-C4'-P energy: -74.220 tors. eta vs tors. theta energy: -83.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1269.038188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.038188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.038188 (E_RNA) where: Base-Base interactions energy: -766.253 where: short stacking energy: -427.233 Base-Backbone interact. energy: -0.173 local terms energy: -502.612406 where: bonds (distance) C4'-P energy: -123.599 bonds (distance) P-C4' energy: -103.540 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -88.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1120.503420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.503420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.503420 (E_RNA) where: Base-Base interactions energy: -653.470 where: short stacking energy: -350.292 Base-Backbone interact. energy: -2.649 local terms energy: -466.064560 where: bonds (distance) C4'-P energy: -115.169 bonds (distance) P-C4' energy: -111.436 flat angles C4'-P-C4' energy: -112.370 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: -49.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.681 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1066.816672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.816672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.816672 (E_RNA) where: Base-Base interactions energy: -592.817 where: short stacking energy: -327.138 Base-Backbone interact. energy: 3.310 local terms energy: -477.309551 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -138.475 flat angles C4'-P-C4' energy: -122.683 flat angles P-C4'-P energy: -65.384 tors. eta vs tors. theta energy: -55.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -834.521589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.521589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.521589 (E_RNA) where: Base-Base interactions energy: -410.459 where: short stacking energy: -242.612 Base-Backbone interact. energy: 2.175 local terms energy: -426.238007 where: bonds (distance) C4'-P energy: -104.736 bonds (distance) P-C4' energy: -140.209 flat angles C4'-P-C4' energy: -109.090 flat angles P-C4'-P energy: -57.225 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: 10, replica: 1 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -701.622930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.622930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.622930 (E_RNA) where: Base-Base interactions energy: -344.340 where: short stacking energy: -183.834 Base-Backbone interact. energy: 4.125 local terms energy: -361.408443 where: bonds (distance) C4'-P energy: -108.578 bonds (distance) P-C4' energy: -114.969 flat angles C4'-P-C4' energy: -100.384 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: 7.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2016.513588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.513588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.513588 (E_RNA) where: Base-Base interactions energy: -1345.366 where: short stacking energy: -588.213 Base-Backbone interact. energy: -1.274 local terms energy: -669.872971 where: bonds (distance) C4'-P energy: -146.560 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -141.202 flat angles P-C4'-P energy: -97.972 tors. eta vs tors. theta energy: -153.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1933.441159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.441159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.441159 (E_RNA) where: Base-Base interactions energy: -1311.890 where: short stacking energy: -592.009 Base-Backbone interact. energy: 0.021 local terms energy: -621.571302 where: bonds (distance) C4'-P energy: -123.586 bonds (distance) P-C4' energy: -126.840 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -149.007 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: 21 Temperature: 1.000000 Total energy: -1889.684082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.684082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.684082 (E_RNA) where: Base-Base interactions energy: -1248.682 where: short stacking energy: -552.952 Base-Backbone interact. energy: 1.511 local terms energy: -642.933430 where: bonds (distance) C4'-P energy: -133.365 bonds (distance) P-C4' energy: -121.142 flat angles C4'-P-C4' energy: -151.206 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -140.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.420 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1536.009309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.009309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.009309 (E_RNA) where: Base-Base interactions energy: -998.432 where: short stacking energy: -510.014 Base-Backbone interact. energy: 2.482 local terms energy: -540.059329 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -111.723 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1484.442361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.442361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.442361 (E_RNA) where: Base-Base interactions energy: -926.388 where: short stacking energy: -455.044 Base-Backbone interact. energy: -0.067 local terms energy: -557.987498 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -114.666 flat angles C4'-P-C4' energy: -137.229 flat angles P-C4'-P energy: -82.551 tors. eta vs tors. theta energy: -102.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1225.966492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.966492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.966492 (E_RNA) where: Base-Base interactions energy: -718.392 where: short stacking energy: -393.135 Base-Backbone interact. energy: -0.857 local terms energy: -506.717579 where: bonds (distance) C4'-P energy: -118.687 bonds (distance) P-C4' energy: -124.999 flat angles C4'-P-C4' energy: -124.859 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -73.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1230.781239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.781239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.781239 (E_RNA) where: Base-Base interactions energy: -789.911 where: short stacking energy: -367.545 Base-Backbone interact. energy: 6.583 local terms energy: -447.453338 where: bonds (distance) C4'-P energy: -117.131 bonds (distance) P-C4' energy: -117.086 flat angles C4'-P-C4' energy: -100.046 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: -53.399 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: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1070.831749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.831749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.831749 (E_RNA) where: Base-Base interactions energy: -615.412 where: short stacking energy: -331.559 Base-Backbone interact. energy: -2.335 local terms energy: -453.084374 where: bonds (distance) C4'-P energy: -115.685 bonds (distance) P-C4' energy: -122.757 flat angles C4'-P-C4' energy: -111.861 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -45.156 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -876.760247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.760247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.760247 (E_RNA) where: Base-Base interactions energy: -464.456 where: short stacking energy: -260.042 Base-Backbone interact. energy: 4.086 local terms energy: -416.390177 where: bonds (distance) C4'-P energy: -110.562 bonds (distance) P-C4' energy: -110.418 flat angles C4'-P-C4' energy: -105.267 flat angles P-C4'-P energy: -72.185 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: 10, replica: 1 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -703.770686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.770686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.770686 (E_RNA) where: Base-Base interactions energy: -331.711 where: short stacking energy: -216.065 Base-Backbone interact. energy: 4.092 local terms energy: -376.151583 where: bonds (distance) C4'-P energy: -114.014 bonds (distance) P-C4' energy: -108.739 flat angles C4'-P-C4' energy: -100.949 flat angles P-C4'-P energy: -59.598 tors. eta vs tors. theta energy: 7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2053.242348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.242348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.242348 (E_RNA) where: Base-Base interactions energy: -1366.753 where: short stacking energy: -617.581 Base-Backbone interact. energy: 0.180 local terms energy: -686.669425 where: bonds (distance) C4'-P energy: -153.662 bonds (distance) P-C4' energy: -137.524 flat angles C4'-P-C4' energy: -150.471 flat angles P-C4'-P energy: -96.547 tors. eta vs tors. theta energy: -148.466 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: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1975.436148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.436148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.436148 (E_RNA) where: Base-Base interactions energy: -1339.003 where: short stacking energy: -565.168 Base-Backbone interact. energy: -2.752 local terms energy: -633.680760 where: bonds (distance) C4'-P energy: -121.332 bonds (distance) P-C4' energy: -139.512 flat angles C4'-P-C4' energy: -150.885 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -123.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1953.292117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.292117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.292117 (E_RNA) where: Base-Base interactions energy: -1311.770 where: short stacking energy: -593.956 Base-Backbone interact. energy: -1.974 local terms energy: -639.548182 where: bonds (distance) C4'-P energy: -137.286 bonds (distance) P-C4' energy: -132.684 flat angles C4'-P-C4' energy: -145.081 flat angles P-C4'-P energy: -71.650 tors. eta vs tors. theta energy: -152.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1512.724525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.724525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.724525 (E_RNA) where: Base-Base interactions energy: -942.409 where: short stacking energy: -486.261 Base-Backbone interact. energy: -0.283 local terms energy: -570.033224 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -138.302 flat angles P-C4'-P energy: -94.885 tors. eta vs tors. theta energy: -96.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1548.934063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.934063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.934063 (E_RNA) where: Base-Base interactions energy: -995.584 where: short stacking energy: -456.394 Base-Backbone interact. energy: -2.783 local terms energy: -550.566471 where: bonds (distance) C4'-P energy: -116.102 bonds (distance) P-C4' energy: -128.522 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -71.754 tors. eta vs tors. theta energy: -115.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1224.951132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.951132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.951132 (E_RNA) where: Base-Base interactions energy: -716.956 where: short stacking energy: -376.306 Base-Backbone interact. energy: -0.714 local terms energy: -507.281657 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -136.258 flat angles C4'-P-C4' energy: -122.748 flat angles P-C4'-P energy: -70.263 tors. eta vs tors. theta energy: -61.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1266.360603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.360603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.360603 (E_RNA) where: Base-Base interactions energy: -769.229 where: short stacking energy: -361.421 Base-Backbone interact. energy: -1.126 local terms energy: -496.005143 where: bonds (distance) C4'-P energy: -129.148 bonds (distance) P-C4' energy: -122.917 flat angles C4'-P-C4' energy: -117.939 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -52.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1098.538097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.538097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.538097 (E_RNA) where: Base-Base interactions energy: -663.969 where: short stacking energy: -348.303 Base-Backbone interact. energy: 4.337 local terms energy: -438.906640 where: bonds (distance) C4'-P energy: -97.977 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -106.556 flat angles P-C4'-P energy: -88.340 tors. eta vs tors. theta energy: -40.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -935.627307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.627307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.627307 (E_RNA) where: Base-Base interactions energy: -534.795 where: short stacking energy: -311.629 Base-Backbone interact. energy: -0.878 local terms energy: -399.954935 where: bonds (distance) C4'-P energy: -93.880 bonds (distance) P-C4' energy: -101.798 flat angles C4'-P-C4' energy: -104.050 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -37.457 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: 1 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -719.417288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.417288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.417288 (E_RNA) where: Base-Base interactions energy: -321.902 where: short stacking energy: -199.203 Base-Backbone interact. energy: -1.959 local terms energy: -395.556646 where: bonds (distance) C4'-P energy: -98.474 bonds (distance) P-C4' energy: -124.884 flat angles C4'-P-C4' energy: -106.225 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2117.696623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.696623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.696623 (E_RNA) where: Base-Base interactions energy: -1437.589 where: short stacking energy: -632.492 Base-Backbone interact. energy: -1.953 local terms energy: -678.154614 where: bonds (distance) C4'-P energy: -134.581 bonds (distance) P-C4' energy: -143.879 flat angles C4'-P-C4' energy: -153.308 flat angles P-C4'-P energy: -91.301 tors. eta vs tors. theta energy: -155.086 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: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2049.728322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.728322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.728322 (E_RNA) where: Base-Base interactions energy: -1379.243 where: short stacking energy: -634.263 Base-Backbone interact. energy: -3.386 local terms energy: -667.099040 where: bonds (distance) C4'-P energy: -126.511 bonds (distance) P-C4' energy: -135.694 flat angles C4'-P-C4' energy: -148.191 flat angles P-C4'-P energy: -97.518 tors. eta vs tors. theta energy: -159.185 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: 7 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1926.128752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.128752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.128752 (E_RNA) where: Base-Base interactions energy: -1289.522 where: short stacking energy: -555.470 Base-Backbone interact. energy: 0.146 local terms energy: -636.752791 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -137.494 flat angles C4'-P-C4' energy: -149.110 flat angles P-C4'-P energy: -86.871 tors. eta vs tors. theta energy: -133.181 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: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1543.496505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.496505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.496505 (E_RNA) where: Base-Base interactions energy: -940.135 where: short stacking energy: -467.461 Base-Backbone interact. energy: -1.042 local terms energy: -602.319365 where: bonds (distance) C4'-P energy: -137.231 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -131.012 flat angles P-C4'-P energy: -87.121 tors. eta vs tors. theta energy: -107.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1624.177923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.177923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.177923 (E_RNA) where: Base-Base interactions energy: -1082.619 where: short stacking energy: -526.760 Base-Backbone interact. energy: -3.296 local terms energy: -538.262576 where: bonds (distance) C4'-P energy: -120.428 bonds (distance) P-C4' energy: -125.243 flat angles C4'-P-C4' energy: -114.313 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -115.191 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: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1211.350796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.350796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.350796 (E_RNA) where: Base-Base interactions energy: -722.700 where: short stacking energy: -393.265 Base-Backbone interact. energy: -1.479 local terms energy: -487.172425 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -120.489 flat angles C4'-P-C4' energy: -114.936 flat angles P-C4'-P energy: -78.885 tors. eta vs tors. theta energy: -74.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1254.674844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.674844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.674844 (E_RNA) where: Base-Base interactions energy: -775.309 where: short stacking energy: -367.284 Base-Backbone interact. energy: 3.890 local terms energy: -483.256126 where: bonds (distance) C4'-P energy: -122.017 bonds (distance) P-C4' energy: -132.683 flat angles C4'-P-C4' energy: -110.291 flat angles P-C4'-P energy: -65.093 tors. eta vs tors. theta energy: -53.171 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: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1152.192246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.192246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.192246 (E_RNA) where: Base-Base interactions energy: -684.161 where: short stacking energy: -357.190 Base-Backbone interact. energy: 1.315 local terms energy: -469.346671 where: bonds (distance) C4'-P energy: -101.901 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -119.059 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -63.131 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: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -984.295752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.295752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.295752 (E_RNA) where: Base-Base interactions energy: -565.866 where: short stacking energy: -289.506 Base-Backbone interact. energy: -2.604 local terms energy: -415.825837 where: bonds (distance) C4'-P energy: -105.106 bonds (distance) P-C4' energy: -108.128 flat angles C4'-P-C4' energy: -109.444 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -27.471 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: 1 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -706.834494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.834494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.834494 (E_RNA) where: Base-Base interactions energy: -350.275 where: short stacking energy: -199.970 Base-Backbone interact. energy: -1.076 local terms energy: -355.483324 where: bonds (distance) C4'-P energy: -110.670 bonds (distance) P-C4' energy: -87.540 flat angles C4'-P-C4' energy: -99.489 flat angles P-C4'-P energy: -61.404 tors. eta vs tors. theta energy: 3.620 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: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2114.009204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.009204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.009204 (E_RNA) where: Base-Base interactions energy: -1416.912 where: short stacking energy: -634.158 Base-Backbone interact. energy: -0.149 local terms energy: -696.948136 where: bonds (distance) C4'-P energy: -148.389 bonds (distance) P-C4' energy: -143.613 flat angles C4'-P-C4' energy: -148.052 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -154.660 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: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2089.415275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.415275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.415275 (E_RNA) where: Base-Base interactions energy: -1397.371 where: short stacking energy: -629.994 Base-Backbone interact. energy: -3.675 local terms energy: -688.369283 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -153.334 flat angles P-C4'-P energy: -99.074 tors. eta vs tors. theta energy: -161.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1889.783354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.783354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.783354 (E_RNA) where: Base-Base interactions energy: -1279.393 where: short stacking energy: -536.717 Base-Backbone interact. energy: -3.585 local terms energy: -606.805302 where: bonds (distance) C4'-P energy: -128.343 bonds (distance) P-C4' energy: -128.403 flat angles C4'-P-C4' energy: -140.413 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -124.165 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: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1558.993584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.993584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.993584 (E_RNA) where: Base-Base interactions energy: -1007.999 where: short stacking energy: -482.695 Base-Backbone interact. energy: 3.009 local terms energy: -554.003481 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -128.748 flat angles C4'-P-C4' energy: -118.215 flat angles P-C4'-P energy: -90.723 tors. eta vs tors. theta energy: -96.938 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: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1620.739913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.739913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.739913 (E_RNA) where: Base-Base interactions energy: -1046.176 where: short stacking energy: -496.016 Base-Backbone interact. energy: -1.453 local terms energy: -573.110160 where: bonds (distance) C4'-P energy: -131.914 bonds (distance) P-C4' energy: -128.140 flat angles C4'-P-C4' energy: -124.276 flat angles P-C4'-P energy: -88.305 tors. eta vs tors. theta energy: -100.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1231.000046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.000046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.000046 (E_RNA) where: Base-Base interactions energy: -672.654 where: short stacking energy: -378.689 Base-Backbone interact. energy: -1.224 local terms energy: -557.122640 where: bonds (distance) C4'-P energy: -133.371 bonds (distance) P-C4' energy: -135.640 flat angles C4'-P-C4' energy: -128.524 flat angles P-C4'-P energy: -86.154 tors. eta vs tors. theta energy: -73.434 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: 24 Temperature: 1.200000 Total energy: -1249.994835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.994835 (E_RNA) where: Base-Base interactions energy: -738.371 where: short stacking energy: -353.152 Base-Backbone interact. energy: -3.263 local terms energy: -508.361225 where: bonds (distance) C4'-P energy: -124.802 bonds (distance) P-C4' energy: -132.272 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -63.395 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: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1182.975546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.975546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.975546 (E_RNA) where: Base-Base interactions energy: -706.949 where: short stacking energy: -354.415 Base-Backbone interact. energy: 2.098 local terms energy: -478.124560 where: bonds (distance) C4'-P energy: -119.104 bonds (distance) P-C4' energy: -116.559 flat angles C4'-P-C4' energy: -115.725 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -62.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1061.712282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.712282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.712282 (E_RNA) where: Base-Base interactions energy: -655.134 where: short stacking energy: -302.191 Base-Backbone interact. energy: 0.977 local terms energy: -407.554875 where: bonds (distance) C4'-P energy: -93.049 bonds (distance) P-C4' energy: -112.466 flat angles C4'-P-C4' energy: -100.617 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -28.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -697.634859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.634859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.634859 (E_RNA) where: Base-Base interactions energy: -340.664 where: short stacking energy: -220.393 Base-Backbone interact. energy: -0.224 local terms energy: -356.746909 where: bonds (distance) C4'-P energy: -109.482 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -93.200 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: 18.978 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: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2121.056870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.056870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.056870 (E_RNA) where: Base-Base interactions energy: -1416.051 where: short stacking energy: -642.218 Base-Backbone interact. energy: -0.835 local terms energy: -704.170357 where: bonds (distance) C4'-P energy: -146.510 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -142.211 flat angles P-C4'-P energy: -104.810 tors. eta vs tors. theta energy: -162.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2070.436835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.436835 (E_RNA) where: Base-Base interactions energy: -1375.201 where: short stacking energy: -649.477 Base-Backbone interact. energy: -2.711 local terms energy: -692.524994 where: bonds (distance) C4'-P energy: -126.880 bonds (distance) P-C4' energy: -140.921 flat angles C4'-P-C4' energy: -156.867 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -175.085 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: 25 Temperature: 1.000000 Total energy: -1919.225515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.225515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.225515 (E_RNA) where: Base-Base interactions energy: -1297.522 where: short stacking energy: -551.569 Base-Backbone interact. energy: -6.096 local terms energy: -615.607649 where: bonds (distance) C4'-P energy: -130.864 bonds (distance) P-C4' energy: -126.293 flat angles C4'-P-C4' energy: -140.618 flat angles P-C4'-P energy: -89.432 tors. eta vs tors. theta energy: -128.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1738.041791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.041791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.041791 (E_RNA) where: Base-Base interactions energy: -1143.582 where: short stacking energy: -536.323 Base-Backbone interact. energy: -0.962 local terms energy: -593.497681 where: bonds (distance) C4'-P energy: -102.467 bonds (distance) P-C4' energy: -131.285 flat angles C4'-P-C4' energy: -142.168 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -126.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1478.394545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.394545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.394545 (E_RNA) where: Base-Base interactions energy: -930.615 where: short stacking energy: -446.581 Base-Backbone interact. energy: -4.805 local terms energy: -542.974635 where: bonds (distance) C4'-P energy: -129.268 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -134.983 flat angles P-C4'-P energy: -58.988 tors. eta vs tors. theta energy: -89.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1336.077422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.077422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.077422 (E_RNA) where: Base-Base interactions energy: -831.389 where: short stacking energy: -396.017 Base-Backbone interact. energy: -1.246 local terms energy: -503.442022 where: bonds (distance) C4'-P energy: -86.999 bonds (distance) P-C4' energy: -133.064 flat angles C4'-P-C4' energy: -126.199 flat angles P-C4'-P energy: -84.071 tors. eta vs tors. theta energy: -73.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1179.297939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.297939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.297939 (E_RNA) where: Base-Base interactions energy: -716.816 where: short stacking energy: -356.780 Base-Backbone interact. energy: 0.046 local terms energy: -462.528058 where: bonds (distance) C4'-P energy: -116.576 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -106.341 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -67.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1272.545880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.545880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.545880 (E_RNA) where: Base-Base interactions energy: -821.533 where: short stacking energy: -379.746 Base-Backbone interact. energy: -0.019 local terms energy: -450.993384 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -118.119 flat angles C4'-P-C4' energy: -95.950 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -59.595 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: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1123.227589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.227589 (E_RNA) where: Base-Base interactions energy: -681.168 where: short stacking energy: -323.295 Base-Backbone interact. energy: -1.166 local terms energy: -440.894148 where: bonds (distance) C4'-P energy: -108.756 bonds (distance) P-C4' energy: -121.625 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -36.694 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: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -721.815178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.815178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.815178 (E_RNA) where: Base-Base interactions energy: -356.983 where: short stacking energy: -232.551 Base-Backbone interact. energy: 10.029 local terms energy: -374.861133 where: bonds (distance) C4'-P energy: -113.304 bonds (distance) P-C4' energy: -125.916 flat angles C4'-P-C4' energy: -99.206 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: 3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2141.645589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.645589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.645589 (E_RNA) where: Base-Base interactions energy: -1425.976 where: short stacking energy: -678.567 Base-Backbone interact. energy: -5.084 local terms energy: -712.261522 where: bonds (distance) C4'-P energy: -146.801 bonds (distance) P-C4' energy: -138.385 flat angles C4'-P-C4' energy: -151.136 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: -174.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.676 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2002.104886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.104886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.104886 (E_RNA) where: Base-Base interactions energy: -1348.983 where: short stacking energy: -649.505 Base-Backbone interact. energy: -2.778 local terms energy: -650.344165 where: bonds (distance) C4'-P energy: -125.921 bonds (distance) P-C4' energy: -131.546 flat angles C4'-P-C4' energy: -142.806 flat angles P-C4'-P energy: -94.724 tors. eta vs tors. theta energy: -155.347 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: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1962.851750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.851750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.851750 (E_RNA) where: Base-Base interactions energy: -1341.331 where: short stacking energy: -558.584 Base-Backbone interact. energy: 0.378 local terms energy: -621.897915 where: bonds (distance) C4'-P energy: -130.247 bonds (distance) P-C4' energy: -133.928 flat angles C4'-P-C4' energy: -145.094 flat angles P-C4'-P energy: -77.854 tors. eta vs tors. theta energy: -134.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1744.303576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.303576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.303576 (E_RNA) where: Base-Base interactions energy: -1119.515 where: short stacking energy: -532.397 Base-Backbone interact. energy: -2.803 local terms energy: -621.984718 where: bonds (distance) C4'-P energy: -123.430 bonds (distance) P-C4' energy: -157.736 flat angles C4'-P-C4' energy: -125.820 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -129.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1455.690850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.690850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.690850 (E_RNA) where: Base-Base interactions energy: -921.096 where: short stacking energy: -451.446 Base-Backbone interact. energy: 0.625 local terms energy: -535.219424 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -133.033 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -70.502 tors. eta vs tors. theta energy: -71.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1409.344663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.344663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.344663 (E_RNA) where: Base-Base interactions energy: -924.688 where: short stacking energy: -447.822 Base-Backbone interact. energy: -3.695 local terms energy: -480.962071 where: bonds (distance) C4'-P energy: -123.714 bonds (distance) P-C4' energy: -103.083 flat angles C4'-P-C4' energy: -123.798 flat angles P-C4'-P energy: -67.525 tors. eta vs tors. theta energy: -62.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1377.511381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.511381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.511381 (E_RNA) where: Base-Base interactions energy: -899.381 where: short stacking energy: -403.156 Base-Backbone interact. energy: -0.985 local terms energy: -477.146030 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: -82.202 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: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1131.985674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.985674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.985674 (E_RNA) where: Base-Base interactions energy: -663.010 where: short stacking energy: -348.524 Base-Backbone interact. energy: -1.990 local terms energy: -466.986467 where: bonds (distance) C4'-P energy: -129.970 bonds (distance) P-C4' energy: -108.793 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -44.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1063.980636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.980636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.980636 (E_RNA) where: Base-Base interactions energy: -633.677 where: short stacking energy: -315.800 Base-Backbone interact. energy: 3.147 local terms energy: -433.450631 where: bonds (distance) C4'-P energy: -113.354 bonds (distance) P-C4' energy: -113.773 flat angles C4'-P-C4' energy: -106.871 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -38.709 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: 26 Temperature: 1.350000 Total energy: -737.610442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.610442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.610442 (E_RNA) where: Base-Base interactions energy: -361.198 where: short stacking energy: -220.875 Base-Backbone interact. energy: 0.020 local terms energy: -376.432510 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -95.561 flat angles P-C4'-P energy: -65.681 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: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2113.900071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.900071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.900071 (E_RNA) where: Base-Base interactions energy: -1430.571 where: short stacking energy: -661.554 Base-Backbone interact. energy: -3.439 local terms energy: -679.890124 where: bonds (distance) C4'-P energy: -136.445 bonds (distance) P-C4' energy: -137.082 flat angles C4'-P-C4' energy: -140.346 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -170.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2033.429407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.429407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.429407 (E_RNA) where: Base-Base interactions energy: -1365.503 where: short stacking energy: -592.555 Base-Backbone interact. energy: -5.441 local terms energy: -662.485454 where: bonds (distance) C4'-P energy: -132.875 bonds (distance) P-C4' energy: -149.982 flat angles C4'-P-C4' energy: -134.984 flat angles P-C4'-P energy: -93.809 tors. eta vs tors. theta energy: -150.836 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: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1958.876676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.876676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.876676 (E_RNA) where: Base-Base interactions energy: -1340.373 where: short stacking energy: -559.907 Base-Backbone interact. energy: -3.815 local terms energy: -614.689256 where: bonds (distance) C4'-P energy: -127.926 bonds (distance) P-C4' energy: -125.735 flat angles C4'-P-C4' energy: -145.609 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -130.119 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: 27 Temperature: 1.050000 Total energy: -1696.079854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.079854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.079854 (E_RNA) where: Base-Base interactions energy: -1110.840 where: short stacking energy: -539.776 Base-Backbone interact. energy: -1.202 local terms energy: -584.038395 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -109.096 flat angles C4'-P-C4' energy: -129.089 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -126.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1469.546422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.546422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.546422 (E_RNA) where: Base-Base interactions energy: -892.461 where: short stacking energy: -430.027 Base-Backbone interact. energy: 0.907 local terms energy: -577.993251 where: bonds (distance) C4'-P energy: -127.530 bonds (distance) P-C4' energy: -137.746 flat angles C4'-P-C4' energy: -136.985 flat angles P-C4'-P energy: -88.886 tors. eta vs tors. theta energy: -86.847 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: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1492.657998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.657998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.657998 (E_RNA) where: Base-Base interactions energy: -943.909 where: short stacking energy: -445.293 Base-Backbone interact. energy: -1.601 local terms energy: -547.147620 where: bonds (distance) C4'-P energy: -112.850 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -140.178 flat angles P-C4'-P energy: -89.553 tors. eta vs tors. theta energy: -81.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1394.007987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.007987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.007987 (E_RNA) where: Base-Base interactions energy: -885.263 where: short stacking energy: -384.511 Base-Backbone interact. energy: 0.422 local terms energy: -509.166962 where: bonds (distance) C4'-P energy: -108.133 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -127.370 flat angles P-C4'-P energy: -56.756 tors. eta vs tors. theta energy: -83.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1158.689654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.689654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.689654 (E_RNA) where: Base-Base interactions energy: -683.843 where: short stacking energy: -343.454 Base-Backbone interact. energy: -1.763 local terms energy: -473.083760 where: bonds (distance) C4'-P energy: -93.692 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -132.280 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -57.801 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: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1062.294688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.294688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.294688 (E_RNA) where: Base-Base interactions energy: -633.832 where: short stacking energy: -310.040 Base-Backbone interact. energy: 3.648 local terms energy: -432.111039 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -126.905 flat angles C4'-P-C4' energy: -108.741 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -40.688 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: 27 Temperature: 1.350000 Total energy: -789.981097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.981097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.981097 (E_RNA) where: Base-Base interactions energy: -422.390 where: short stacking energy: -234.538 Base-Backbone interact. energy: 3.894 local terms energy: -371.485311 where: bonds (distance) C4'-P energy: -117.650 bonds (distance) P-C4' energy: -112.383 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -12.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2157.555658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.555658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.555658 (E_RNA) where: Base-Base interactions energy: -1484.593 where: short stacking energy: -683.162 Base-Backbone interact. energy: -4.221 local terms energy: -668.741118 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -131.045 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -88.014 tors. eta vs tors. theta energy: -174.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2045.173577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.173577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.173577 (E_RNA) where: Base-Base interactions energy: -1385.515 where: short stacking energy: -641.589 Base-Backbone interact. energy: 2.980 local terms energy: -662.638337 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -150.904 flat angles P-C4'-P energy: -99.063 tors. eta vs tors. theta energy: -161.523 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: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1973.603661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.603661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.603661 (E_RNA) where: Base-Base interactions energy: -1342.056 where: short stacking energy: -567.026 Base-Backbone interact. energy: -3.387 local terms energy: -628.161078 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -141.110 flat angles C4'-P-C4' energy: -141.082 flat angles P-C4'-P energy: -78.605 tors. eta vs tors. theta energy: -143.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1677.095838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.095838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.095838 (E_RNA) where: Base-Base interactions energy: -1077.713 where: short stacking energy: -518.367 Base-Backbone interact. energy: -1.461 local terms energy: -597.921736 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -130.503 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -82.197 tors. eta vs tors. theta energy: -115.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1648.824318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.824318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.824318 (E_RNA) where: Base-Base interactions energy: -1047.771 where: short stacking energy: -520.009 Base-Backbone interact. energy: 1.075 local terms energy: -602.127688 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -127.704 flat angles P-C4'-P energy: -91.675 tors. eta vs tors. theta energy: -127.421 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: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1392.259915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.259915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.259915 (E_RNA) where: Base-Base interactions energy: -885.660 where: short stacking energy: -434.091 Base-Backbone interact. energy: -2.703 local terms energy: -503.896990 where: bonds (distance) C4'-P energy: -99.743 bonds (distance) P-C4' energy: -122.347 flat angles C4'-P-C4' energy: -134.431 flat angles P-C4'-P energy: -75.480 tors. eta vs tors. theta energy: -71.896 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: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1341.975467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.975467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.975467 (E_RNA) where: Base-Base interactions energy: -856.611 where: short stacking energy: -377.004 Base-Backbone interact. energy: -3.167 local terms energy: -482.196740 where: bonds (distance) C4'-P energy: -98.950 bonds (distance) P-C4' energy: -115.732 flat angles C4'-P-C4' energy: -121.463 flat angles P-C4'-P energy: -77.011 tors. eta vs tors. theta energy: -69.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1261.073027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.073027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.073027 (E_RNA) where: Base-Base interactions energy: -800.475 where: short stacking energy: -390.221 Base-Backbone interact. energy: -2.289 local terms energy: -458.309093 where: bonds (distance) C4'-P energy: -88.118 bonds (distance) P-C4' energy: -108.505 flat angles C4'-P-C4' energy: -105.245 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -70.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1086.823835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.823835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.823835 (E_RNA) where: Base-Base interactions energy: -675.933 where: short stacking energy: -357.409 Base-Backbone interact. energy: 1.299 local terms energy: -412.189682 where: bonds (distance) C4'-P energy: -95.001 bonds (distance) P-C4' energy: -113.098 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -63.849 tors. eta vs tors. theta energy: -42.042 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: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -822.534704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.534704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.534704 (E_RNA) where: Base-Base interactions energy: -429.895 where: short stacking energy: -206.420 Base-Backbone interact. energy: 1.625 local terms energy: -394.265010 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -110.273 flat angles P-C4'-P energy: -67.296 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: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2158.440496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.440496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.440496 (E_RNA) where: Base-Base interactions energy: -1438.792 where: short stacking energy: -677.568 Base-Backbone interact. energy: -3.617 local terms energy: -716.030983 where: bonds (distance) C4'-P energy: -124.672 bonds (distance) P-C4' energy: -141.104 flat angles C4'-P-C4' energy: -163.616 flat angles P-C4'-P energy: -106.267 tors. eta vs tors. theta energy: -180.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2059.750694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.750694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.750694 (E_RNA) where: Base-Base interactions energy: -1387.278 where: short stacking energy: -615.973 Base-Backbone interact. energy: -3.462 local terms energy: -669.010476 where: bonds (distance) C4'-P energy: -123.877 bonds (distance) P-C4' energy: -144.401 flat angles C4'-P-C4' energy: -145.966 flat angles P-C4'-P energy: -93.417 tors. eta vs tors. theta energy: -161.349 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: 29 Temperature: 1.000000 Total energy: -2006.574534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.574534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.574534 (E_RNA) where: Base-Base interactions energy: -1394.769 where: short stacking energy: -596.520 Base-Backbone interact. energy: -3.764 local terms energy: -608.041817 where: bonds (distance) C4'-P energy: -120.017 bonds (distance) P-C4' energy: -127.270 flat angles C4'-P-C4' energy: -141.354 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -140.970 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: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1800.362669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.362669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.362669 (E_RNA) where: Base-Base interactions energy: -1217.736 where: short stacking energy: -534.248 Base-Backbone interact. energy: -1.755 local terms energy: -580.871017 where: bonds (distance) C4'-P energy: -118.192 bonds (distance) P-C4' energy: -116.922 flat angles C4'-P-C4' energy: -130.282 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -122.362 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: 29 Temperature: 1.100000 Total energy: -1694.413696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.413696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.413696 (E_RNA) where: Base-Base interactions energy: -1098.455 where: short stacking energy: -539.062 Base-Backbone interact. energy: -1.083 local terms energy: -594.876572 where: bonds (distance) C4'-P energy: -121.142 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -153.073 flat angles P-C4'-P energy: -71.593 tors. eta vs tors. theta energy: -130.636 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: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1367.149087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.149087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.149087 (E_RNA) where: Base-Base interactions energy: -841.155 where: short stacking energy: -413.968 Base-Backbone interact. energy: 2.633 local terms energy: -528.627415 where: bonds (distance) C4'-P energy: -128.504 bonds (distance) P-C4' energy: -130.574 flat angles C4'-P-C4' energy: -120.135 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -71.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1313.265190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.265190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.265190 (E_RNA) where: Base-Base interactions energy: -860.701 where: short stacking energy: -407.657 Base-Backbone interact. energy: 1.421 local terms energy: -453.985042 where: bonds (distance) C4'-P energy: -113.360 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -71.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1264.704197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.704197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.704197 (E_RNA) where: Base-Base interactions energy: -795.193 where: short stacking energy: -367.685 Base-Backbone interact. energy: -1.504 local terms energy: -468.007754 where: bonds (distance) C4'-P energy: -102.555 bonds (distance) P-C4' energy: -111.293 flat angles C4'-P-C4' energy: -118.209 flat angles P-C4'-P energy: -67.386 tors. eta vs tors. theta energy: -68.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1025.989678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.989678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.989678 (E_RNA) where: Base-Base interactions energy: -578.583 where: short stacking energy: -270.324 Base-Backbone interact. energy: -3.141 local terms energy: -444.265187 where: bonds (distance) C4'-P energy: -107.102 bonds (distance) P-C4' energy: -118.277 flat angles C4'-P-C4' energy: -118.458 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -31.041 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: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -848.262319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.262319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.262319 (E_RNA) where: Base-Base interactions energy: -451.357 where: short stacking energy: -261.641 Base-Backbone interact. energy: 0.978 local terms energy: -397.883318 where: bonds (distance) C4'-P energy: -108.614 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -117.634 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2226.059663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.059663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.059663 (E_RNA) where: Base-Base interactions energy: -1505.340 where: short stacking energy: -667.598 Base-Backbone interact. energy: -4.254 local terms energy: -716.465356 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -160.195 flat angles P-C4'-P energy: -96.978 tors. eta vs tors. theta energy: -169.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2049.983019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.983019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.983019 (E_RNA) where: Base-Base interactions energy: -1380.952 where: short stacking energy: -632.674 Base-Backbone interact. energy: -3.692 local terms energy: -665.339539 where: bonds (distance) C4'-P energy: -122.800 bonds (distance) P-C4' energy: -138.492 flat angles C4'-P-C4' energy: -144.174 flat angles P-C4'-P energy: -99.853 tors. eta vs tors. theta energy: -160.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1951.421564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.421564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.421564 (E_RNA) where: Base-Base interactions energy: -1322.967 where: short stacking energy: -548.297 Base-Backbone interact. energy: -1.650 local terms energy: -626.804848 where: bonds (distance) C4'-P energy: -129.728 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -145.886 flat angles P-C4'-P energy: -90.338 tors. eta vs tors. theta energy: -132.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1825.997839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.997839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.997839 (E_RNA) where: Base-Base interactions energy: -1223.113 where: short stacking energy: -546.682 Base-Backbone interact. energy: -2.033 local terms energy: -600.851600 where: bonds (distance) C4'-P energy: -142.584 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -119.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1672.432431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.432431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.432431 (E_RNA) where: Base-Base interactions energy: -1093.743 where: short stacking energy: -476.696 Base-Backbone interact. energy: -5.086 local terms energy: -573.604239 where: bonds (distance) C4'-P energy: -125.253 bonds (distance) P-C4' energy: -133.781 flat angles C4'-P-C4' energy: -119.960 flat angles P-C4'-P energy: -81.349 tors. eta vs tors. theta energy: -113.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1286.296565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.296565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.296565 (E_RNA) where: Base-Base interactions energy: -802.570 where: short stacking energy: -391.800 Base-Backbone interact. energy: 5.653 local terms energy: -489.379028 where: bonds (distance) C4'-P energy: -107.459 bonds (distance) P-C4' energy: -117.118 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -51.497 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: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1369.164872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.164872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.164872 (E_RNA) where: Base-Base interactions energy: -911.557 where: short stacking energy: -420.489 Base-Backbone interact. energy: -1.264 local terms energy: -456.343540 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -119.649 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -68.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1224.093170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.093170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.093170 (E_RNA) where: Base-Base interactions energy: -762.708 where: short stacking energy: -367.109 Base-Backbone interact. energy: -2.678 local terms energy: -458.706945 where: bonds (distance) C4'-P energy: -111.979 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -119.617 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -43.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1056.934297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.934297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.934297 (E_RNA) where: Base-Base interactions energy: -636.509 where: short stacking energy: -353.396 Base-Backbone interact. energy: -1.598 local terms energy: -418.827088 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -104.031 flat angles C4'-P-C4' energy: -102.002 flat angles P-C4'-P energy: -69.562 tors. eta vs tors. theta energy: -55.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -857.469057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.469057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.469057 (E_RNA) where: Base-Base interactions energy: -484.876 where: short stacking energy: -291.455 Base-Backbone interact. energy: -1.141 local terms energy: -371.451988 where: bonds (distance) C4'-P energy: -86.302 bonds (distance) P-C4' energy: -108.857 flat angles C4'-P-C4' energy: -100.922 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -15.337 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: 31 Temperature: 0.900000 Total energy: -2226.548110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.548110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.548110 (E_RNA) where: Base-Base interactions energy: -1519.457 where: short stacking energy: -677.475 Base-Backbone interact. energy: -1.166 local terms energy: -705.925787 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -158.767 flat angles P-C4'-P energy: -106.272 tors. eta vs tors. theta energy: -178.164 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: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2011.416590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.416590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.416590 (E_RNA) where: Base-Base interactions energy: -1358.641 where: short stacking energy: -608.211 Base-Backbone interact. energy: -3.111 local terms energy: -649.664537 where: bonds (distance) C4'-P energy: -126.885 bonds (distance) P-C4' energy: -143.715 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -146.805 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: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1928.994754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.994754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.994754 (E_RNA) where: Base-Base interactions energy: -1321.444 where: short stacking energy: -591.011 Base-Backbone interact. energy: -0.848 local terms energy: -606.702624 where: bonds (distance) C4'-P energy: -121.160 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -144.476 flat angles P-C4'-P energy: -76.099 tors. eta vs tors. theta energy: -143.359 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: 10 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1858.433773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.433773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.433773 (E_RNA) where: Base-Base interactions energy: -1246.229 where: short stacking energy: -579.839 Base-Backbone interact. energy: -0.664 local terms energy: -611.540372 where: bonds (distance) C4'-P energy: -115.016 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -145.815 flat angles P-C4'-P energy: -74.996 tors. eta vs tors. theta energy: -143.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1639.179888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.179888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.179888 (E_RNA) where: Base-Base interactions energy: -1052.774 where: short stacking energy: -483.166 Base-Backbone interact. energy: -3.093 local terms energy: -583.312262 where: bonds (distance) C4'-P energy: -117.157 bonds (distance) P-C4' energy: -142.211 flat angles C4'-P-C4' energy: -134.941 flat angles P-C4'-P energy: -87.976 tors. eta vs tors. theta energy: -101.028 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: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1394.432071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.432071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.432071 (E_RNA) where: Base-Base interactions energy: -890.363 where: short stacking energy: -411.542 Base-Backbone interact. energy: -1.955 local terms energy: -502.113826 where: bonds (distance) C4'-P energy: -117.290 bonds (distance) P-C4' energy: -114.178 flat angles C4'-P-C4' energy: -126.767 flat angles P-C4'-P energy: -81.819 tors. eta vs tors. theta energy: -62.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1225.740512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.740512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.740512 (E_RNA) where: Base-Base interactions energy: -767.704 where: short stacking energy: -368.541 Base-Backbone interact. energy: -0.523 local terms energy: -457.514073 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -130.300 flat angles C4'-P-C4' energy: -113.298 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -44.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1261.813109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.813109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.813109 (E_RNA) where: Base-Base interactions energy: -773.635 where: short stacking energy: -378.558 Base-Backbone interact. energy: 1.012 local terms energy: -489.190663 where: bonds (distance) C4'-P energy: -115.650 bonds (distance) P-C4' energy: -132.625 flat angles C4'-P-C4' energy: -110.920 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: -63.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -958.310658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.310658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.310658 (E_RNA) where: Base-Base interactions energy: -534.895 where: short stacking energy: -283.377 Base-Backbone interact. energy: 0.310 local terms energy: -423.725696 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -109.112 flat angles C4'-P-C4' energy: -100.553 flat angles P-C4'-P energy: -59.445 tors. eta vs tors. theta energy: -33.152 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: 31 Temperature: 1.350000 Total energy: -822.188904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.188904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.188904 (E_RNA) where: Base-Base interactions energy: -437.301 where: short stacking energy: -244.852 Base-Backbone interact. energy: 2.317 local terms energy: -387.204018 where: bonds (distance) C4'-P energy: -104.112 bonds (distance) P-C4' energy: -117.218 flat angles C4'-P-C4' energy: -97.224 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -7.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2274.476195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.476195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.476195 (E_RNA) where: Base-Base interactions energy: -1546.399 where: short stacking energy: -707.541 Base-Backbone interact. energy: 0.242 local terms energy: -728.318660 where: bonds (distance) C4'-P energy: -130.362 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -153.334 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -195.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2014.973825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.973825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.973825 (E_RNA) where: Base-Base interactions energy: -1349.453 where: short stacking energy: -599.664 Base-Backbone interact. energy: -5.905 local terms energy: -659.615316 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -140.252 flat angles C4'-P-C4' energy: -151.555 flat angles P-C4'-P energy: -87.998 tors. eta vs tors. theta energy: -142.829 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: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1989.677777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.677777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.677777 (E_RNA) where: Base-Base interactions energy: -1364.128 where: short stacking energy: -566.882 Base-Backbone interact. energy: -5.016 local terms energy: -620.533947 where: bonds (distance) C4'-P energy: -122.010 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -139.142 flat angles P-C4'-P energy: -98.703 tors. eta vs tors. theta energy: -138.526 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: 10 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1900.788921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.788921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.788921 (E_RNA) where: Base-Base interactions energy: -1255.544 where: short stacking energy: -582.170 Base-Backbone interact. energy: -1.554 local terms energy: -643.690328 where: bonds (distance) C4'-P energy: -128.950 bonds (distance) P-C4' energy: -149.928 flat angles C4'-P-C4' energy: -145.087 flat angles P-C4'-P energy: -81.612 tors. eta vs tors. theta energy: -138.113 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1674.598592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.598592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.598592 (E_RNA) where: Base-Base interactions energy: -1110.083 where: short stacking energy: -518.396 Base-Backbone interact. energy: 1.520 local terms energy: -566.036110 where: bonds (distance) C4'-P energy: -132.560 bonds (distance) P-C4' energy: -124.270 flat angles C4'-P-C4' energy: -117.330 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -112.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1423.583955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.583955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.583955 (E_RNA) where: Base-Base interactions energy: -907.850 where: short stacking energy: -437.139 Base-Backbone interact. energy: 3.748 local terms energy: -519.482547 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -119.172 flat angles C4'-P-C4' energy: -123.966 flat angles P-C4'-P energy: -72.156 tors. eta vs tors. theta energy: -81.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1330.103780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.103780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.103780 (E_RNA) where: Base-Base interactions energy: -808.599 where: short stacking energy: -397.529 Base-Backbone interact. energy: -2.625 local terms energy: -518.879529 where: bonds (distance) C4'-P energy: -113.133 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -119.460 flat angles P-C4'-P energy: -82.772 tors. eta vs tors. theta energy: -81.411 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: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1169.151678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.151678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.151678 (E_RNA) where: Base-Base interactions energy: -786.221 where: short stacking energy: -329.886 Base-Backbone interact. energy: -0.500 local terms energy: -382.430609 where: bonds (distance) C4'-P energy: -86.132 bonds (distance) P-C4' energy: -105.764 flat angles C4'-P-C4' energy: -97.196 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -33.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -837.112067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.112067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.112067 (E_RNA) where: Base-Base interactions energy: -449.112 where: short stacking energy: -255.096 Base-Backbone interact. energy: -2.684 local terms energy: -385.315687 where: bonds (distance) C4'-P energy: -92.377 bonds (distance) P-C4' energy: -127.717 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -56.601 tors. eta vs tors. theta energy: -19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -804.213229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.213229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.213229 (E_RNA) where: Base-Base interactions energy: -433.277 where: short stacking energy: -243.170 Base-Backbone interact. energy: 1.324 local terms energy: -372.260192 where: bonds (distance) C4'-P energy: -93.260 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -103.398 flat angles P-C4'-P energy: -53.772 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2278.131933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.131933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.131933 (E_RNA) where: Base-Base interactions energy: -1549.476 where: short stacking energy: -692.558 Base-Backbone interact. energy: -0.958 local terms energy: -727.697954 where: bonds (distance) C4'-P energy: -142.372 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -158.841 flat angles P-C4'-P energy: -97.977 tors. eta vs tors. theta energy: -185.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2062.606507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.606507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.606507 (E_RNA) where: Base-Base interactions energy: -1414.665 where: short stacking energy: -602.253 Base-Backbone interact. energy: -5.183 local terms energy: -642.758577 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -135.586 flat angles C4'-P-C4' energy: -145.094 flat angles P-C4'-P energy: -84.022 tors. eta vs tors. theta energy: -157.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1967.539470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.539470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.539470 (E_RNA) where: Base-Base interactions energy: -1339.896 where: short stacking energy: -568.347 Base-Backbone interact. energy: -5.038 local terms energy: -622.605357 where: bonds (distance) C4'-P energy: -138.337 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -134.618 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -139.852 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: 33 Temperature: 1.050000 Total energy: -1981.136663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.136663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.136663 (E_RNA) where: Base-Base interactions energy: -1298.761 where: short stacking energy: -595.145 Base-Backbone interact. energy: -2.108 local terms energy: -680.267037 where: bonds (distance) C4'-P energy: -143.872 bonds (distance) P-C4' energy: -143.356 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -77.797 tors. eta vs tors. theta energy: -160.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1718.362126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.362126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.362126 (E_RNA) where: Base-Base interactions energy: -1169.859 where: short stacking energy: -524.623 Base-Backbone interact. energy: -2.436 local terms energy: -546.067066 where: bonds (distance) C4'-P energy: -111.905 bonds (distance) P-C4' energy: -110.820 flat angles C4'-P-C4' energy: -126.840 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -123.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1443.347035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.347035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.347035 (E_RNA) where: Base-Base interactions energy: -957.229 where: short stacking energy: -437.653 Base-Backbone interact. energy: -2.612 local terms energy: -483.505941 where: bonds (distance) C4'-P energy: -107.455 bonds (distance) P-C4' energy: -121.427 flat angles C4'-P-C4' energy: -118.056 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -71.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1380.068761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.068761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.068761 (E_RNA) where: Base-Base interactions energy: -884.811 where: short stacking energy: -400.883 Base-Backbone interact. energy: -2.259 local terms energy: -492.998917 where: bonds (distance) C4'-P energy: -106.041 bonds (distance) P-C4' energy: -126.231 flat angles C4'-P-C4' energy: -124.896 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -68.941 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: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1161.786991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.786991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.786991 (E_RNA) where: Base-Base interactions energy: -751.387 where: short stacking energy: -341.390 Base-Backbone interact. energy: -4.330 local terms energy: -406.069738 where: bonds (distance) C4'-P energy: -106.688 bonds (distance) P-C4' energy: -100.621 flat angles C4'-P-C4' energy: -103.878 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -33.575 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: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -894.700269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.700269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.700269 (E_RNA) where: Base-Base interactions energy: -506.971 where: short stacking energy: -272.574 Base-Backbone interact. energy: 1.725 local terms energy: -389.454075 where: bonds (distance) C4'-P energy: -99.620 bonds (distance) P-C4' energy: -124.112 flat angles C4'-P-C4' energy: -88.177 flat angles P-C4'-P energy: -57.895 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: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -808.205050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.205050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.205050 (E_RNA) where: Base-Base interactions energy: -456.633 where: short stacking energy: -243.261 Base-Backbone interact. energy: 2.635 local terms energy: -354.206628 where: bonds (distance) C4'-P energy: -90.013 bonds (distance) P-C4' energy: -91.681 flat angles C4'-P-C4' energy: -107.963 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2247.867664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.867664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.867664 (E_RNA) where: Base-Base interactions energy: -1537.517 where: short stacking energy: -674.011 Base-Backbone interact. energy: 0.725 local terms energy: -711.076325 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -147.209 flat angles C4'-P-C4' energy: -154.927 flat angles P-C4'-P energy: -90.309 tors. eta vs tors. theta energy: -177.924 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: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2085.683502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.683502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.683502 (E_RNA) where: Base-Base interactions energy: -1441.464 where: short stacking energy: -638.186 Base-Backbone interact. energy: -2.797 local terms energy: -642.018780 where: bonds (distance) C4'-P energy: -134.112 bonds (distance) P-C4' energy: -129.060 flat angles C4'-P-C4' energy: -140.938 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -152.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.596 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2017.255177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.255177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.255177 (E_RNA) where: Base-Base interactions energy: -1357.999 where: short stacking energy: -634.029 Base-Backbone interact. energy: -3.412 local terms energy: -655.844495 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -121.086 flat angles C4'-P-C4' energy: -148.849 flat angles P-C4'-P energy: -86.258 tors. eta vs tors. theta energy: -163.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1925.406118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.406118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.406118 (E_RNA) where: Base-Base interactions energy: -1317.067 where: short stacking energy: -578.341 Base-Backbone interact. energy: -2.922 local terms energy: -605.417149 where: bonds (distance) C4'-P energy: -129.065 bonds (distance) P-C4' energy: -139.085 flat angles C4'-P-C4' energy: -123.966 flat angles P-C4'-P energy: -76.469 tors. eta vs tors. theta energy: -136.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1729.949268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.949268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.949268 (E_RNA) where: Base-Base interactions energy: -1169.506 where: short stacking energy: -497.359 Base-Backbone interact. energy: 0.408 local terms energy: -560.850819 where: bonds (distance) C4'-P energy: -110.568 bonds (distance) P-C4' energy: -120.873 flat angles C4'-P-C4' energy: -145.061 flat angles P-C4'-P energy: -74.329 tors. eta vs tors. theta energy: -110.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1454.617541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.617541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.617541 (E_RNA) where: Base-Base interactions energy: -925.201 where: short stacking energy: -397.694 Base-Backbone interact. energy: 4.662 local terms energy: -534.078453 where: bonds (distance) C4'-P energy: -118.894 bonds (distance) P-C4' energy: -127.282 flat angles C4'-P-C4' energy: -114.914 flat angles P-C4'-P energy: -92.167 tors. eta vs tors. theta energy: -80.821 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1458.001729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.001729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.001729 (E_RNA) where: Base-Base interactions energy: -982.244 where: short stacking energy: -434.401 Base-Backbone interact. energy: -0.431 local terms energy: -475.326643 where: bonds (distance) C4'-P energy: -98.055 bonds (distance) P-C4' energy: -117.825 flat angles C4'-P-C4' energy: -118.913 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -81.006 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: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1210.970599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.970599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.970599 (E_RNA) where: Base-Base interactions energy: -766.499 where: short stacking energy: -387.567 Base-Backbone interact. energy: -1.961 local terms energy: -442.510463 where: bonds (distance) C4'-P energy: -104.685 bonds (distance) P-C4' energy: -110.101 flat angles C4'-P-C4' energy: -122.639 flat angles P-C4'-P energy: -57.451 tors. eta vs tors. theta energy: -47.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -862.307398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.307398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.307398 (E_RNA) where: Base-Base interactions energy: -476.246 where: short stacking energy: -285.089 Base-Backbone interact. energy: -2.703 local terms energy: -383.358480 where: bonds (distance) C4'-P energy: -99.771 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -18.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -791.558467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.558467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.558467 (E_RNA) where: Base-Base interactions energy: -403.958 where: short stacking energy: -215.749 Base-Backbone interact. energy: 0.772 local terms energy: -388.372992 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -119.472 flat angles C4'-P-C4' energy: -114.132 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2280.046350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.046350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.046350 (E_RNA) where: Base-Base interactions energy: -1562.526 where: short stacking energy: -702.632 Base-Backbone interact. energy: -3.441 local terms energy: -714.079270 where: bonds (distance) C4'-P energy: -143.611 bonds (distance) P-C4' energy: -144.540 flat angles C4'-P-C4' energy: -151.270 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -175.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2108.574717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.574717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.574717 (E_RNA) where: Base-Base interactions energy: -1449.241 where: short stacking energy: -617.777 Base-Backbone interact. energy: -3.154 local terms energy: -656.179748 where: bonds (distance) C4'-P energy: -122.882 bonds (distance) P-C4' energy: -146.464 flat angles C4'-P-C4' energy: -145.171 flat angles P-C4'-P energy: -88.119 tors. eta vs tors. theta energy: -153.543 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: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2110.269383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.269383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.269383 (E_RNA) where: Base-Base interactions energy: -1410.196 where: short stacking energy: -648.562 Base-Backbone interact. energy: -0.557 local terms energy: -699.516603 where: bonds (distance) C4'-P energy: -122.537 bonds (distance) P-C4' energy: -131.211 flat angles C4'-P-C4' energy: -159.463 flat angles P-C4'-P energy: -111.343 tors. eta vs tors. theta energy: -174.962 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: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1891.580119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.580119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.580119 (E_RNA) where: Base-Base interactions energy: -1283.420 where: short stacking energy: -587.820 Base-Backbone interact. energy: -3.526 local terms energy: -604.634087 where: bonds (distance) C4'-P energy: -129.357 bonds (distance) P-C4' energy: -119.175 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -142.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1678.057982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.057982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.057982 (E_RNA) where: Base-Base interactions energy: -1089.051 where: short stacking energy: -496.743 Base-Backbone interact. energy: -2.507 local terms energy: -586.499931 where: bonds (distance) C4'-P energy: -115.039 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -143.231 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: -122.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1487.272204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.272204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.272204 (E_RNA) where: Base-Base interactions energy: -945.053 where: short stacking energy: -440.935 Base-Backbone interact. energy: -0.879 local terms energy: -541.340187 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -127.225 flat angles C4'-P-C4' energy: -106.612 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -102.670 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: 3 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1483.117592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.117592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.117592 (E_RNA) where: Base-Base interactions energy: -974.302 where: short stacking energy: -448.374 Base-Backbone interact. energy: -1.517 local terms energy: -507.298386 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -119.623 flat angles C4'-P-C4' energy: -116.486 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -86.676 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: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1148.877343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.877343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.877343 (E_RNA) where: Base-Base interactions energy: -714.148 where: short stacking energy: -341.838 Base-Backbone interact. energy: -3.983 local terms energy: -430.746325 where: bonds (distance) C4'-P energy: -113.415 bonds (distance) P-C4' energy: -114.761 flat angles C4'-P-C4' energy: -100.013 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -36.576 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: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -912.281400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.281400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.281400 (E_RNA) where: Base-Base interactions energy: -484.778 where: short stacking energy: -286.935 Base-Backbone interact. energy: -0.180 local terms energy: -427.323675 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -111.439 flat angles C4'-P-C4' energy: -107.177 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -33.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -737.106558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.106558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.106558 (E_RNA) where: Base-Base interactions energy: -337.160 where: short stacking energy: -205.296 Base-Backbone interact. energy: -3.090 local terms energy: -396.856825 where: bonds (distance) C4'-P energy: -103.318 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: 2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2295.445200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.445200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.445200 (E_RNA) where: Base-Base interactions energy: -1571.626 where: short stacking energy: -677.066 Base-Backbone interact. energy: -5.218 local terms energy: -718.601206 where: bonds (distance) C4'-P energy: -131.385 bonds (distance) P-C4' energy: -139.976 flat angles C4'-P-C4' energy: -157.138 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -193.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2104.797184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.797184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.797184 (E_RNA) where: Base-Base interactions energy: -1452.095 where: short stacking energy: -624.010 Base-Backbone interact. energy: -4.981 local terms energy: -647.720698 where: bonds (distance) C4'-P energy: -135.121 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -79.910 tors. eta vs tors. theta energy: -155.257 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: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2086.819290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.819290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.819290 (E_RNA) where: Base-Base interactions energy: -1413.225 where: short stacking energy: -634.252 Base-Backbone interact. energy: -1.717 local terms energy: -671.877697 where: bonds (distance) C4'-P energy: -127.050 bonds (distance) P-C4' energy: -129.126 flat angles C4'-P-C4' energy: -149.969 flat angles P-C4'-P energy: -93.086 tors. eta vs tors. theta energy: -172.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1938.232884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.232884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.232884 (E_RNA) where: Base-Base interactions energy: -1324.910 where: short stacking energy: -603.499 Base-Backbone interact. energy: -3.150 local terms energy: -610.172865 where: bonds (distance) C4'-P energy: -136.362 bonds (distance) P-C4' energy: -107.817 flat angles C4'-P-C4' energy: -143.600 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -136.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1713.714980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.714980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.714980 (E_RNA) where: Base-Base interactions energy: -1122.482 where: short stacking energy: -514.211 Base-Backbone interact. energy: -4.000 local terms energy: -587.232734 where: bonds (distance) C4'-P energy: -115.488 bonds (distance) P-C4' energy: -132.289 flat angles C4'-P-C4' energy: -133.450 flat angles P-C4'-P energy: -83.319 tors. eta vs tors. theta energy: -122.687 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: 36 Temperature: 1.150000 Total energy: -1514.893249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.893249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.893249 (E_RNA) where: Base-Base interactions energy: -996.398 where: short stacking energy: -455.523 Base-Backbone interact. energy: 1.648 local terms energy: -520.143214 where: bonds (distance) C4'-P energy: -92.731 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -122.506 flat angles P-C4'-P energy: -80.971 tors. eta vs tors. theta energy: -94.889 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: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1347.640023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.640023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.640023 (E_RNA) where: Base-Base interactions energy: -863.243 where: short stacking energy: -400.279 Base-Backbone interact. energy: -2.663 local terms energy: -481.733784 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -119.970 flat angles C4'-P-C4' energy: -112.556 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -72.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1188.224434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.224434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.224434 (E_RNA) where: Base-Base interactions energy: -743.769 where: short stacking energy: -339.801 Base-Backbone interact. energy: -3.813 local terms energy: -440.642429 where: bonds (distance) C4'-P energy: -113.011 bonds (distance) P-C4' energy: -109.198 flat angles C4'-P-C4' energy: -108.036 flat angles P-C4'-P energy: -69.832 tors. eta vs tors. theta energy: -40.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -971.451937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.451937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.451937 (E_RNA) where: Base-Base interactions energy: -553.035 where: short stacking energy: -285.197 Base-Backbone interact. energy: -1.474 local terms energy: -416.943486 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -114.668 flat angles C4'-P-C4' energy: -118.515 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -15.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -770.673013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.673013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.673013 (E_RNA) where: Base-Base interactions energy: -379.963 where: short stacking energy: -222.560 Base-Backbone interact. energy: -0.033 local terms energy: -390.676638 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -118.501 flat angles C4'-P-C4' energy: -100.534 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2291.675079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.675079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.675079 (E_RNA) where: Base-Base interactions energy: -1569.365 where: short stacking energy: -712.151 Base-Backbone interact. energy: -4.795 local terms energy: -717.515601 where: bonds (distance) C4'-P energy: -142.188 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -145.686 flat angles P-C4'-P energy: -110.903 tors. eta vs tors. theta energy: -184.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2166.731567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.731567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.731567 (E_RNA) where: Base-Base interactions energy: -1447.179 where: short stacking energy: -662.479 Base-Backbone interact. energy: -2.495 local terms energy: -717.057670 where: bonds (distance) C4'-P energy: -141.044 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -151.156 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -196.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2033.863077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.863077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.863077 (E_RNA) where: Base-Base interactions energy: -1396.430 where: short stacking energy: -592.710 Base-Backbone interact. energy: -4.209 local terms energy: -633.224738 where: bonds (distance) C4'-P energy: -119.607 bonds (distance) P-C4' energy: -134.392 flat angles C4'-P-C4' energy: -142.675 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -156.622 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: 4, replica: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1898.899670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.899670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.899670 (E_RNA) where: Base-Base interactions energy: -1289.428 where: short stacking energy: -550.468 Base-Backbone interact. energy: -0.652 local terms energy: -608.819886 where: bonds (distance) C4'-P energy: -128.187 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -142.406 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -117.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1751.990802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.990802 (E_RNA) where: Base-Base interactions energy: -1161.640 where: short stacking energy: -527.015 Base-Backbone interact. energy: 3.463 local terms energy: -593.814210 where: bonds (distance) C4'-P energy: -130.217 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -86.196 tors. eta vs tors. theta energy: -120.305 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: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1509.238507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.238507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.238507 (E_RNA) where: Base-Base interactions energy: -978.673 where: short stacking energy: -462.584 Base-Backbone interact. energy: 0.075 local terms energy: -530.640334 where: bonds (distance) C4'-P energy: -110.856 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -124.527 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -86.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1299.175595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.175595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.175595 (E_RNA) where: Base-Base interactions energy: -831.528 where: short stacking energy: -384.224 Base-Backbone interact. energy: -1.400 local terms energy: -466.248170 where: bonds (distance) C4'-P energy: -105.725 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -108.146 flat angles P-C4'-P energy: -67.972 tors. eta vs tors. theta energy: -49.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1148.921554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.921554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.921554 (E_RNA) where: Base-Base interactions energy: -670.963 where: short stacking energy: -358.932 Base-Backbone interact. energy: -0.189 local terms energy: -477.769850 where: bonds (distance) C4'-P energy: -111.575 bonds (distance) P-C4' energy: -123.991 flat angles C4'-P-C4' energy: -111.211 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -73.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -978.013495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.013495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.013495 (E_RNA) where: Base-Base interactions energy: -562.117 where: short stacking energy: -297.801 Base-Backbone interact. energy: -0.793 local terms energy: -415.103225 where: bonds (distance) C4'-P energy: -101.034 bonds (distance) P-C4' energy: -120.272 flat angles C4'-P-C4' energy: -103.081 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -20.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -766.087849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.087849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.087849 (E_RNA) where: Base-Base interactions energy: -416.346 where: short stacking energy: -236.821 Base-Backbone interact. energy: -3.756 local terms energy: -345.985974 where: bonds (distance) C4'-P energy: -100.290 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -92.001 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2312.076731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.076731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.076731 (E_RNA) where: Base-Base interactions energy: -1586.090 where: short stacking energy: -709.191 Base-Backbone interact. energy: -3.427 local terms energy: -722.559652 where: bonds (distance) C4'-P energy: -133.348 bonds (distance) P-C4' energy: -140.863 flat angles C4'-P-C4' energy: -155.783 flat angles P-C4'-P energy: -109.040 tors. eta vs tors. theta energy: -183.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2197.427670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.427670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.427670 (E_RNA) where: Base-Base interactions energy: -1495.119 where: short stacking energy: -703.623 Base-Backbone interact. energy: 1.753 local terms energy: -704.061036 where: bonds (distance) C4'-P energy: -138.331 bonds (distance) P-C4' energy: -137.158 flat angles C4'-P-C4' energy: -141.906 flat angles P-C4'-P energy: -87.718 tors. eta vs tors. theta energy: -198.949 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: 38 Temperature: 1.000000 Total energy: -2053.124750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.124750 (E_RNA) where: Base-Base interactions energy: -1397.161 where: short stacking energy: -578.002 Base-Backbone interact. energy: -1.641 local terms energy: -654.323687 where: bonds (distance) C4'-P energy: -129.314 bonds (distance) P-C4' energy: -144.053 flat angles C4'-P-C4' energy: -145.171 flat angles P-C4'-P energy: -90.334 tors. eta vs tors. theta energy: -145.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1887.138511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.138511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.138511 (E_RNA) where: Base-Base interactions energy: -1309.272 where: short stacking energy: -570.557 Base-Backbone interact. energy: -1.504 local terms energy: -576.362055 where: bonds (distance) C4'-P energy: -110.099 bonds (distance) P-C4' energy: -126.656 flat angles C4'-P-C4' energy: -128.335 flat angles P-C4'-P energy: -86.934 tors. eta vs tors. theta energy: -124.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1720.063464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.063464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.063464 (E_RNA) where: Base-Base interactions energy: -1117.233 where: short stacking energy: -524.546 Base-Backbone interact. energy: 1.296 local terms energy: -604.126226 where: bonds (distance) C4'-P energy: -126.144 bonds (distance) P-C4' energy: -131.682 flat angles C4'-P-C4' energy: -140.903 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -118.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1540.008154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.008154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.008154 (E_RNA) where: Base-Base interactions energy: -1013.390 where: short stacking energy: -452.015 Base-Backbone interact. energy: -1.174 local terms energy: -525.443916 where: bonds (distance) C4'-P energy: -118.082 bonds (distance) P-C4' energy: -133.338 flat angles C4'-P-C4' energy: -121.851 flat angles P-C4'-P energy: -61.256 tors. eta vs tors. theta energy: -90.917 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: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1362.381687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.381687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.381687 (E_RNA) where: Base-Base interactions energy: -871.404 where: short stacking energy: -406.521 Base-Backbone interact. energy: -0.637 local terms energy: -490.341092 where: bonds (distance) C4'-P energy: -116.410 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -118.005 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -79.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1207.088333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.088333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.088333 (E_RNA) where: Base-Base interactions energy: -738.115 where: short stacking energy: -367.024 Base-Backbone interact. energy: -3.774 local terms energy: -465.199250 where: bonds (distance) C4'-P energy: -110.335 bonds (distance) P-C4' energy: -123.970 flat angles C4'-P-C4' energy: -117.095 flat angles P-C4'-P energy: -55.019 tors. eta vs tors. theta energy: -58.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -890.548509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.548509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.548509 (E_RNA) where: Base-Base interactions energy: -502.594 where: short stacking energy: -273.266 Base-Backbone interact. energy: -2.414 local terms energy: -385.541018 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -107.085 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -22.337 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: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -814.788348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.788348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.788348 (E_RNA) where: Base-Base interactions energy: -415.358 where: short stacking energy: -240.223 Base-Backbone interact. energy: 3.209 local terms energy: -402.639512 where: bonds (distance) C4'-P energy: -105.522 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -108.419 flat angles P-C4'-P energy: -40.840 tors. eta vs tors. theta energy: -21.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2323.357105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.357105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.357105 (E_RNA) where: Base-Base interactions energy: -1586.205 where: short stacking energy: -714.342 Base-Backbone interact. energy: -3.428 local terms energy: -733.724469 where: bonds (distance) C4'-P energy: -142.274 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -164.497 flat angles P-C4'-P energy: -97.090 tors. eta vs tors. theta energy: -192.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2231.079386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.079386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.079386 (E_RNA) where: Base-Base interactions energy: -1517.063 where: short stacking energy: -692.878 Base-Backbone interact. energy: -1.530 local terms energy: -712.486020 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -135.549 flat angles C4'-P-C4' energy: -156.487 flat angles P-C4'-P energy: -91.443 tors. eta vs tors. theta energy: -199.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1956.289737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.289737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.289737 (E_RNA) where: Base-Base interactions energy: -1324.825 where: short stacking energy: -581.143 Base-Backbone interact. energy: -2.596 local terms energy: -629.848043 where: bonds (distance) C4'-P energy: -140.893 bonds (distance) P-C4' energy: -122.114 flat angles C4'-P-C4' energy: -139.656 flat angles P-C4'-P energy: -98.156 tors. eta vs tors. theta energy: -129.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.979 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1905.483571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.483571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.483571 (E_RNA) where: Base-Base interactions energy: -1305.482 where: short stacking energy: -550.762 Base-Backbone interact. energy: -0.295 local terms energy: -599.706772 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -117.883 flat angles P-C4'-P energy: -85.851 tors. eta vs tors. theta energy: -131.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1772.874794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.874794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.874794 (E_RNA) where: Base-Base interactions energy: -1175.618 where: short stacking energy: -533.474 Base-Backbone interact. energy: -0.186 local terms energy: -597.071459 where: bonds (distance) C4'-P energy: -119.494 bonds (distance) P-C4' energy: -122.807 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -130.448 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: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1652.840360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.840360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.840360 (E_RNA) where: Base-Base interactions energy: -1115.037 where: short stacking energy: -520.852 Base-Backbone interact. energy: -4.194 local terms energy: -533.609559 where: bonds (distance) C4'-P energy: -108.799 bonds (distance) P-C4' energy: -113.462 flat angles C4'-P-C4' energy: -125.281 flat angles P-C4'-P energy: -64.983 tors. eta vs tors. theta energy: -121.085 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: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1329.710497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.710497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.710497 (E_RNA) where: Base-Base interactions energy: -845.450 where: short stacking energy: -401.828 Base-Backbone interact. energy: -2.454 local terms energy: -481.807063 where: bonds (distance) C4'-P energy: -119.275 bonds (distance) P-C4' energy: -119.971 flat angles C4'-P-C4' energy: -113.818 flat angles P-C4'-P energy: -65.862 tors. eta vs tors. theta energy: -62.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1170.400934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.400934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.400934 (E_RNA) where: Base-Base interactions energy: -746.310 where: short stacking energy: -337.909 Base-Backbone interact. energy: -2.429 local terms energy: -421.661586 where: bonds (distance) C4'-P energy: -109.362 bonds (distance) P-C4' energy: -102.289 flat angles C4'-P-C4' energy: -114.311 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -35.971 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: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -956.513799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.513799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.513799 (E_RNA) where: Base-Base interactions energy: -563.048 where: short stacking energy: -286.487 Base-Backbone interact. energy: 0.439 local terms energy: -393.904761 where: bonds (distance) C4'-P energy: -98.910 bonds (distance) P-C4' energy: -122.941 flat angles C4'-P-C4' energy: -95.326 flat angles P-C4'-P energy: -51.273 tors. eta vs tors. theta energy: -25.455 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: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -767.884962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.884962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.884962 (E_RNA) where: Base-Base interactions energy: -363.510 where: short stacking energy: -209.243 Base-Backbone interact. energy: -0.757 local terms energy: -403.618196 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -119.194 flat angles C4'-P-C4' energy: -115.446 flat angles P-C4'-P energy: -51.397 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2329.072747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.072747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.072747 (E_RNA) where: Base-Base interactions energy: -1616.071 where: short stacking energy: -713.785 Base-Backbone interact. energy: -5.024 local terms energy: -707.978336 where: bonds (distance) C4'-P energy: -118.490 bonds (distance) P-C4' energy: -138.356 flat angles C4'-P-C4' energy: -155.313 flat angles P-C4'-P energy: -108.522 tors. eta vs tors. theta energy: -187.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2251.299418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.299418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.299418 (E_RNA) where: Base-Base interactions energy: -1536.785 where: short stacking energy: -706.390 Base-Backbone interact. energy: -3.041 local terms energy: -711.473700 where: bonds (distance) C4'-P energy: -134.176 bonds (distance) P-C4' energy: -126.510 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -98.443 tors. eta vs tors. theta energy: -198.799 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: 40 Temperature: 1.000000 Total energy: -1914.385808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.385808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.385808 (E_RNA) where: Base-Base interactions energy: -1339.616 where: short stacking energy: -563.814 Base-Backbone interact. energy: 0.467 local terms energy: -575.237273 where: bonds (distance) C4'-P energy: -110.626 bonds (distance) P-C4' energy: -109.278 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -131.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1833.836268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.836268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.836268 (E_RNA) where: Base-Base interactions energy: -1266.852 where: short stacking energy: -540.325 Base-Backbone interact. energy: 2.548 local terms energy: -569.532602 where: bonds (distance) C4'-P energy: -110.879 bonds (distance) P-C4' energy: -132.842 flat angles C4'-P-C4' energy: -130.291 flat angles P-C4'-P energy: -91.250 tors. eta vs tors. theta energy: -104.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1676.414172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.414172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.414172 (E_RNA) where: Base-Base interactions energy: -1097.609 where: short stacking energy: -500.545 Base-Backbone interact. energy: -1.140 local terms energy: -577.664942 where: bonds (distance) C4'-P energy: -132.822 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -125.092 flat angles P-C4'-P energy: -90.828 tors. eta vs tors. theta energy: -103.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1583.603179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.603179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.603179 (E_RNA) where: Base-Base interactions energy: -1054.415 where: short stacking energy: -452.126 Base-Backbone interact. energy: -2.133 local terms energy: -527.054859 where: bonds (distance) C4'-P energy: -117.986 bonds (distance) P-C4' energy: -124.283 flat angles C4'-P-C4' energy: -128.026 flat angles P-C4'-P energy: -74.057 tors. eta vs tors. theta energy: -82.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1397.253294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.253294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.253294 (E_RNA) where: Base-Base interactions energy: -881.276 where: short stacking energy: -416.302 Base-Backbone interact. energy: -4.161 local terms energy: -511.815444 where: bonds (distance) C4'-P energy: -118.826 bonds (distance) P-C4' energy: -113.033 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -91.128 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: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1187.282170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.282170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.282170 (E_RNA) where: Base-Base interactions energy: -736.897 where: short stacking energy: -346.935 Base-Backbone interact. energy: 2.431 local terms energy: -452.816900 where: bonds (distance) C4'-P energy: -122.426 bonds (distance) P-C4' energy: -115.750 flat angles C4'-P-C4' energy: -121.383 flat angles P-C4'-P energy: -55.212 tors. eta vs tors. theta energy: -38.046 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: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -958.944984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.944984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.944984 (E_RNA) where: Base-Base interactions energy: -547.224 where: short stacking energy: -289.962 Base-Backbone interact. energy: -0.488 local terms energy: -411.233040 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -106.679 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -3.896 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: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -840.352119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.352119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.352119 (E_RNA) where: Base-Base interactions energy: -417.726 where: short stacking energy: -222.120 Base-Backbone interact. energy: 1.938 local terms energy: -424.564614 where: bonds (distance) C4'-P energy: -109.476 bonds (distance) P-C4' energy: -112.076 flat angles C4'-P-C4' energy: -94.586 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -29.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2338.350460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.350460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.350460 (E_RNA) where: Base-Base interactions energy: -1598.211 where: short stacking energy: -731.421 Base-Backbone interact. energy: -4.273 local terms energy: -735.865892 where: bonds (distance) C4'-P energy: -135.181 bonds (distance) P-C4' energy: -147.732 flat angles C4'-P-C4' energy: -162.504 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -189.550 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: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2211.795295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.795295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.795295 (E_RNA) where: Base-Base interactions energy: -1532.037 where: short stacking energy: -705.953 Base-Backbone interact. energy: -1.348 local terms energy: -678.410232 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -132.925 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -96.762 tors. eta vs tors. theta energy: -183.304 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: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1955.292972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.292972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.292972 (E_RNA) where: Base-Base interactions energy: -1311.981 where: short stacking energy: -568.395 Base-Backbone interact. energy: -5.236 local terms energy: -638.076129 where: bonds (distance) C4'-P energy: -138.797 bonds (distance) P-C4' energy: -133.647 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -131.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1782.212320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.212320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.212320 (E_RNA) where: Base-Base interactions energy: -1189.427 where: short stacking energy: -531.557 Base-Backbone interact. energy: -0.291 local terms energy: -592.494306 where: bonds (distance) C4'-P energy: -92.100 bonds (distance) P-C4' energy: -140.627 flat angles C4'-P-C4' energy: -156.468 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -114.661 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1685.870236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.870236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.870236 (E_RNA) where: Base-Base interactions energy: -1125.238 where: short stacking energy: -537.990 Base-Backbone interact. energy: -5.011 local terms energy: -555.620336 where: bonds (distance) C4'-P energy: -101.244 bonds (distance) P-C4' energy: -115.189 flat angles C4'-P-C4' energy: -135.063 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -116.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1549.175917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.175917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.175917 (E_RNA) where: Base-Base interactions energy: -1039.932 where: short stacking energy: -464.144 Base-Backbone interact. energy: 2.082 local terms energy: -511.325740 where: bonds (distance) C4'-P energy: -112.361 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -101.352 flat angles P-C4'-P energy: -75.626 tors. eta vs tors. theta energy: -96.295 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: 41 Temperature: 1.200000 Total energy: -1360.308437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.308437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.308437 (E_RNA) where: Base-Base interactions energy: -861.615 where: short stacking energy: -392.143 Base-Backbone interact. energy: -2.871 local terms energy: -495.822158 where: bonds (distance) C4'-P energy: -124.955 bonds (distance) P-C4' energy: -104.962 flat angles C4'-P-C4' energy: -130.887 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -68.189 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: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1123.451802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.451802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.451802 (E_RNA) where: Base-Base interactions energy: -712.368 where: short stacking energy: -331.514 Base-Backbone interact. energy: 0.738 local terms energy: -412.655672 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -111.486 flat angles C4'-P-C4' energy: -98.141 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: -37.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.834 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -982.799059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.799059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.799059 (E_RNA) where: Base-Base interactions energy: -572.057 where: short stacking energy: -303.302 Base-Backbone interact. energy: -1.889 local terms energy: -408.853217 where: bonds (distance) C4'-P energy: -110.712 bonds (distance) P-C4' energy: -103.271 flat angles C4'-P-C4' energy: -114.236 flat angles P-C4'-P energy: -58.679 tors. eta vs tors. theta energy: -21.955 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: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -797.639480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.639480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.639480 (E_RNA) where: Base-Base interactions energy: -412.957 where: short stacking energy: -231.448 Base-Backbone interact. energy: 2.032 local terms energy: -386.714873 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -119.812 flat angles C4'-P-C4' energy: -92.677 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -9.448 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: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2330.213442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.213442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.213442 (E_RNA) where: Base-Base interactions energy: -1624.749 where: short stacking energy: -723.164 Base-Backbone interact. energy: -1.566 local terms energy: -703.897983 where: bonds (distance) C4'-P energy: -133.407 bonds (distance) P-C4' energy: -127.667 flat angles C4'-P-C4' energy: -152.225 flat angles P-C4'-P energy: -104.898 tors. eta vs tors. theta energy: -185.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2228.558615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.558615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.558615 (E_RNA) where: Base-Base interactions energy: -1537.113 where: short stacking energy: -681.490 Base-Backbone interact. energy: -1.316 local terms energy: -690.129763 where: bonds (distance) C4'-P energy: -108.772 bonds (distance) P-C4' energy: -126.631 flat angles C4'-P-C4' energy: -150.064 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -195.522 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: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1966.378423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.378423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.378423 (E_RNA) where: Base-Base interactions energy: -1322.125 where: short stacking energy: -585.687 Base-Backbone interact. energy: -3.439 local terms energy: -640.813810 where: bonds (distance) C4'-P energy: -135.761 bonds (distance) P-C4' energy: -118.155 flat angles C4'-P-C4' energy: -156.894 flat angles P-C4'-P energy: -84.621 tors. eta vs tors. theta energy: -145.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1820.102813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.102813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.102813 (E_RNA) where: Base-Base interactions energy: -1188.394 where: short stacking energy: -546.401 Base-Backbone interact. energy: 1.498 local terms energy: -633.207159 where: bonds (distance) C4'-P energy: -127.598 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -147.318 flat angles P-C4'-P energy: -81.592 tors. eta vs tors. theta energy: -142.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1674.134966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.134966 (E_RNA) where: Base-Base interactions energy: -1140.359 where: short stacking energy: -481.570 Base-Backbone interact. energy: -2.572 local terms energy: -531.203557 where: bonds (distance) C4'-P energy: -119.314 bonds (distance) P-C4' energy: -127.309 flat angles C4'-P-C4' energy: -113.958 flat angles P-C4'-P energy: -72.063 tors. eta vs tors. theta energy: -98.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1655.115349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.115349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.115349 (E_RNA) where: Base-Base interactions energy: -1101.509 where: short stacking energy: -496.118 Base-Backbone interact. energy: 1.973 local terms energy: -555.579293 where: bonds (distance) C4'-P energy: -121.815 bonds (distance) P-C4' energy: -108.273 flat angles C4'-P-C4' energy: -123.432 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -110.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1358.363655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.363655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.363655 (E_RNA) where: Base-Base interactions energy: -840.151 where: short stacking energy: -399.168 Base-Backbone interact. energy: -4.922 local terms energy: -513.291291 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -124.405 flat angles C4'-P-C4' energy: -119.901 flat angles P-C4'-P energy: -60.733 tors. eta vs tors. theta energy: -89.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1182.065819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.065819 (E_RNA) where: Base-Base interactions energy: -724.110 where: short stacking energy: -341.184 Base-Backbone interact. energy: -1.294 local terms energy: -456.661568 where: bonds (distance) C4'-P energy: -99.075 bonds (distance) P-C4' energy: -128.617 flat angles C4'-P-C4' energy: -106.796 flat angles P-C4'-P energy: -76.331 tors. eta vs tors. theta energy: -45.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -965.781734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.781734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.781734 (E_RNA) where: Base-Base interactions energy: -565.747 where: short stacking energy: -288.026 Base-Backbone interact. energy: -1.503 local terms energy: -398.530836 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -109.093 flat angles C4'-P-C4' energy: -102.203 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -21.284 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: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -799.042657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.042657 (E_RNA) where: Base-Base interactions energy: -444.576 where: short stacking energy: -266.501 Base-Backbone interact. energy: 2.192 local terms energy: -356.658333 where: bonds (distance) C4'-P energy: -100.951 bonds (distance) P-C4' energy: -121.659 flat angles C4'-P-C4' energy: -95.406 flat angles P-C4'-P energy: -36.605 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: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2405.413909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.413909 (E_RNA) where: Base-Base interactions energy: -1659.291 where: short stacking energy: -715.848 Base-Backbone interact. energy: -3.490 local terms energy: -742.633489 where: bonds (distance) C4'-P energy: -154.262 bonds (distance) P-C4' energy: -126.897 flat angles C4'-P-C4' energy: -153.576 flat angles P-C4'-P energy: -111.619 tors. eta vs tors. theta energy: -196.281 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: 43 Temperature: 0.950000 Total energy: -2247.752769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.752769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.752769 (E_RNA) where: Base-Base interactions energy: -1548.327 where: short stacking energy: -682.258 Base-Backbone interact. energy: -1.451 local terms energy: -697.975076 where: bonds (distance) C4'-P energy: -124.423 bonds (distance) P-C4' energy: -142.949 flat angles C4'-P-C4' energy: -144.378 flat angles P-C4'-P energy: -94.007 tors. eta vs tors. theta energy: -192.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1953.958727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.958727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.958727 (E_RNA) where: Base-Base interactions energy: -1324.383 where: short stacking energy: -584.095 Base-Backbone interact. energy: -2.452 local terms energy: -627.123789 where: bonds (distance) C4'-P energy: -125.207 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -142.373 flat angles P-C4'-P energy: -94.750 tors. eta vs tors. theta energy: -146.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1783.935208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.935208 (E_RNA) where: Base-Base interactions energy: -1180.762 where: short stacking energy: -540.091 Base-Backbone interact. energy: -1.268 local terms energy: -601.904969 where: bonds (distance) C4'-P energy: -136.037 bonds (distance) P-C4' energy: -125.672 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -78.828 tors. eta vs tors. theta energy: -120.602 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: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1674.020509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.020509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.020509 (E_RNA) where: Base-Base interactions energy: -1116.942 where: short stacking energy: -488.922 Base-Backbone interact. energy: -2.802 local terms energy: -554.276543 where: bonds (distance) C4'-P energy: -131.637 bonds (distance) P-C4' energy: -126.302 flat angles C4'-P-C4' energy: -123.092 flat angles P-C4'-P energy: -78.229 tors. eta vs tors. theta energy: -95.016 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1750.118613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.118613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.118613 (E_RNA) where: Base-Base interactions energy: -1198.271 where: short stacking energy: -527.065 Base-Backbone interact. energy: -2.017 local terms energy: -549.831203 where: bonds (distance) C4'-P energy: -110.921 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -116.688 flat angles P-C4'-P energy: -94.259 tors. eta vs tors. theta energy: -121.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1330.350596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.350596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.350596 (E_RNA) where: Base-Base interactions energy: -855.326 where: short stacking energy: -402.505 Base-Backbone interact. energy: 1.701 local terms energy: -476.725799 where: bonds (distance) C4'-P energy: -113.220 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -103.616 flat angles P-C4'-P energy: -55.794 tors. eta vs tors. theta energy: -78.058 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: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1216.471693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.471693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.471693 (E_RNA) where: Base-Base interactions energy: -800.932 where: short stacking energy: -355.319 Base-Backbone interact. energy: 5.486 local terms energy: -421.064903 where: bonds (distance) C4'-P energy: -94.975 bonds (distance) P-C4' energy: -98.081 flat angles C4'-P-C4' energy: -119.525 flat angles P-C4'-P energy: -78.106 tors. eta vs tors. theta energy: -30.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -918.520216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.520216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.520216 (E_RNA) where: Base-Base interactions energy: -519.975 where: short stacking energy: -281.883 Base-Backbone interact. energy: 1.533 local terms energy: -400.077877 where: bonds (distance) C4'-P energy: -92.970 bonds (distance) P-C4' energy: -119.607 flat angles C4'-P-C4' energy: -110.177 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -27.694 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: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -738.324743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.324743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.324743 (E_RNA) where: Base-Base interactions energy: -358.321 where: short stacking energy: -208.319 Base-Backbone interact. energy: -2.105 local terms energy: -377.898532 where: bonds (distance) C4'-P energy: -95.236 bonds (distance) P-C4' energy: -127.501 flat angles C4'-P-C4' energy: -103.690 flat angles P-C4'-P energy: -49.912 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2364.652117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.652117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.652117 (E_RNA) where: Base-Base interactions energy: -1635.513 where: short stacking energy: -719.715 Base-Backbone interact. energy: -1.912 local terms energy: -727.226821 where: bonds (distance) C4'-P energy: -124.624 bonds (distance) P-C4' energy: -150.356 flat angles C4'-P-C4' energy: -150.876 flat angles P-C4'-P energy: -112.413 tors. eta vs tors. theta energy: -188.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2268.520899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.520899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.520899 (E_RNA) where: Base-Base interactions energy: -1565.130 where: short stacking energy: -704.075 Base-Backbone interact. energy: 1.972 local terms energy: -705.363038 where: bonds (distance) C4'-P energy: -132.056 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -147.272 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -204.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1973.734500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.734500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.734500 (E_RNA) where: Base-Base interactions energy: -1346.361 where: short stacking energy: -576.808 Base-Backbone interact. energy: -1.212 local terms energy: -626.161766 where: bonds (distance) C4'-P energy: -129.320 bonds (distance) P-C4' energy: -141.017 flat angles C4'-P-C4' energy: -136.169 flat angles P-C4'-P energy: -79.197 tors. eta vs tors. theta energy: -140.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1798.189631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.189631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.189631 (E_RNA) where: Base-Base interactions energy: -1166.910 where: short stacking energy: -567.762 Base-Backbone interact. energy: 1.572 local terms energy: -632.851949 where: bonds (distance) C4'-P energy: -130.251 bonds (distance) P-C4' energy: -136.117 flat angles C4'-P-C4' energy: -142.811 flat angles P-C4'-P energy: -88.931 tors. eta vs tors. theta energy: -134.743 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: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1823.326015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.326015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.326015 (E_RNA) where: Base-Base interactions energy: -1241.541 where: short stacking energy: -547.490 Base-Backbone interact. energy: 0.945 local terms energy: -582.729341 where: bonds (distance) C4'-P energy: -127.408 bonds (distance) P-C4' energy: -119.095 flat angles C4'-P-C4' energy: -123.183 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -126.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1648.799615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.799615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.799615 (E_RNA) where: Base-Base interactions energy: -1092.485 where: short stacking energy: -473.560 Base-Backbone interact. energy: -2.218 local terms energy: -554.097355 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -123.868 flat angles P-C4'-P energy: -84.296 tors. eta vs tors. theta energy: -91.782 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1366.849097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.849097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.849097 (E_RNA) where: Base-Base interactions energy: -893.690 where: short stacking energy: -394.202 Base-Backbone interact. energy: 1.153 local terms energy: -474.312248 where: bonds (distance) C4'-P energy: -91.470 bonds (distance) P-C4' energy: -129.351 flat angles C4'-P-C4' energy: -115.711 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -70.577 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: 44 Temperature: 1.250000 Total energy: -1166.218772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.218772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.218772 (E_RNA) where: Base-Base interactions energy: -709.053 where: short stacking energy: -300.115 Base-Backbone interact. energy: -3.620 local terms energy: -453.545781 where: bonds (distance) C4'-P energy: -129.209 bonds (distance) P-C4' energy: -127.682 flat angles C4'-P-C4' energy: -112.206 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -18.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -959.829142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.829142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.829142 (E_RNA) where: Base-Base interactions energy: -571.326 where: short stacking energy: -284.104 Base-Backbone interact. energy: 5.843 local terms energy: -394.346092 where: bonds (distance) C4'-P energy: -101.340 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -104.654 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: -23.173 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: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -698.024306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.024306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.024306 (E_RNA) where: Base-Base interactions energy: -332.956 where: short stacking energy: -216.457 Base-Backbone interact. energy: -0.747 local terms energy: -365.066738 where: bonds (distance) C4'-P energy: -95.541 bonds (distance) P-C4' energy: -102.073 flat angles C4'-P-C4' energy: -107.067 flat angles P-C4'-P energy: -61.326 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.745 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2345.281672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.281672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.281672 (E_RNA) where: Base-Base interactions energy: -1628.207 where: short stacking energy: -686.569 Base-Backbone interact. energy: -3.608 local terms energy: -713.466806 where: bonds (distance) C4'-P energy: -141.600 bonds (distance) P-C4' energy: -140.242 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -98.146 tors. eta vs tors. theta energy: -180.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2274.014854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.014854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.014854 (E_RNA) where: Base-Base interactions energy: -1561.774 where: short stacking energy: -700.926 Base-Backbone interact. energy: 0.480 local terms energy: -712.720157 where: bonds (distance) C4'-P energy: -133.594 bonds (distance) P-C4' energy: -142.977 flat angles C4'-P-C4' energy: -154.477 flat angles P-C4'-P energy: -88.277 tors. eta vs tors. theta energy: -193.396 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: 45 Temperature: 1.000000 Total energy: -2014.855506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.855506 (E_RNA) where: Base-Base interactions energy: -1390.646 where: short stacking energy: -567.753 Base-Backbone interact. energy: -4.821 local terms energy: -619.388415 where: bonds (distance) C4'-P energy: -120.153 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -148.619 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -144.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1957.332961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.332961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.332961 (E_RNA) where: Base-Base interactions energy: -1376.119 where: short stacking energy: -611.802 Base-Backbone interact. energy: -1.701 local terms energy: -579.513722 where: bonds (distance) C4'-P energy: -105.091 bonds (distance) P-C4' energy: -111.917 flat angles C4'-P-C4' energy: -136.670 flat angles P-C4'-P energy: -80.432 tors. eta vs tors. theta energy: -145.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1708.539578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.539578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.539578 (E_RNA) where: Base-Base interactions energy: -1123.507 where: short stacking energy: -523.315 Base-Backbone interact. energy: -2.527 local terms energy: -582.505578 where: bonds (distance) C4'-P energy: -112.135 bonds (distance) P-C4' energy: -118.862 flat angles C4'-P-C4' energy: -144.682 flat angles P-C4'-P energy: -71.553 tors. eta vs tors. theta energy: -135.274 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: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1637.317881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.317881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.317881 (E_RNA) where: Base-Base interactions energy: -1095.766 where: short stacking energy: -470.022 Base-Backbone interact. energy: -2.725 local terms energy: -538.827459 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -140.505 flat angles C4'-P-C4' energy: -126.396 flat angles P-C4'-P energy: -72.422 tors. eta vs tors. theta energy: -96.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1439.280712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.280712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.280712 (E_RNA) where: Base-Base interactions energy: -910.021 where: short stacking energy: -432.312 Base-Backbone interact. energy: -2.818 local terms energy: -526.441606 where: bonds (distance) C4'-P energy: -116.684 bonds (distance) P-C4' energy: -126.876 flat angles C4'-P-C4' energy: -124.572 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1288.746257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.746257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.746257 (E_RNA) where: Base-Base interactions energy: -817.885 where: short stacking energy: -376.553 Base-Backbone interact. energy: 5.266 local terms energy: -476.127109 where: bonds (distance) C4'-P energy: -121.743 bonds (distance) P-C4' energy: -135.177 flat angles C4'-P-C4' energy: -104.435 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -47.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -932.886420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.886420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.886420 (E_RNA) where: Base-Base interactions energy: -548.355 where: short stacking energy: -298.296 Base-Backbone interact. energy: -0.687 local terms energy: -383.844618 where: bonds (distance) C4'-P energy: -91.752 bonds (distance) P-C4' energy: -108.357 flat angles C4'-P-C4' energy: -94.524 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -23.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -676.003014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.003014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.003014 (E_RNA) where: Base-Base interactions energy: -303.608 where: short stacking energy: -216.631 Base-Backbone interact. energy: 0.080 local terms energy: -372.475364 where: bonds (distance) C4'-P energy: -113.070 bonds (distance) P-C4' energy: -115.759 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -73.235 tors. eta vs tors. theta energy: 6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2356.155890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.155890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.155890 (E_RNA) where: Base-Base interactions energy: -1637.264 where: short stacking energy: -712.793 Base-Backbone interact. energy: -5.303 local terms energy: -713.589305 where: bonds (distance) C4'-P energy: -138.927 bonds (distance) P-C4' energy: -142.920 flat angles C4'-P-C4' energy: -151.793 flat angles P-C4'-P energy: -102.922 tors. eta vs tors. theta energy: -177.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2295.826950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.826950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.826950 (E_RNA) where: Base-Base interactions energy: -1567.595 where: short stacking energy: -728.436 Base-Backbone interact. energy: -2.171 local terms energy: -726.061006 where: bonds (distance) C4'-P energy: -123.811 bonds (distance) P-C4' energy: -130.410 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -114.593 tors. eta vs tors. theta energy: -197.457 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: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1985.632670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.632670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.632670 (E_RNA) where: Base-Base interactions energy: -1398.827 where: short stacking energy: -563.240 Base-Backbone interact. energy: -4.525 local terms energy: -582.280412 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -130.998 flat angles C4'-P-C4' energy: -130.045 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -121.226 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1878.358101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.358101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.358101 (E_RNA) where: Base-Base interactions energy: -1275.736 where: short stacking energy: -562.268 Base-Backbone interact. energy: -2.393 local terms energy: -600.228982 where: bonds (distance) C4'-P energy: -111.764 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -139.488 flat angles P-C4'-P energy: -84.309 tors. eta vs tors. theta energy: -139.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1691.629538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.629538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.629538 (E_RNA) where: Base-Base interactions energy: -1091.903 where: short stacking energy: -499.710 Base-Backbone interact. energy: -2.668 local terms energy: -597.616218 where: bonds (distance) C4'-P energy: -130.453 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -120.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.558 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1614.924855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.924855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.924855 (E_RNA) where: Base-Base interactions energy: -1062.562 where: short stacking energy: -527.953 Base-Backbone interact. energy: 3.482 local terms energy: -555.844418 where: bonds (distance) C4'-P energy: -101.156 bonds (distance) P-C4' energy: -133.352 flat angles C4'-P-C4' energy: -130.107 flat angles P-C4'-P energy: -69.354 tors. eta vs tors. theta energy: -121.876 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: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1438.116251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.116251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.116251 (E_RNA) where: Base-Base interactions energy: -916.637 where: short stacking energy: -402.245 Base-Backbone interact. energy: 0.576 local terms energy: -522.055674 where: bonds (distance) C4'-P energy: -126.260 bonds (distance) P-C4' energy: -133.642 flat angles C4'-P-C4' energy: -119.920 flat angles P-C4'-P energy: -78.103 tors. eta vs tors. theta energy: -64.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1280.017659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.017659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.017659 (E_RNA) where: Base-Base interactions energy: -826.429 where: short stacking energy: -386.714 Base-Backbone interact. energy: 0.042 local terms energy: -453.630432 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -117.523 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: -43.861 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: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -944.142168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.142168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.142168 (E_RNA) where: Base-Base interactions energy: -519.093 where: short stacking energy: -290.709 Base-Backbone interact. energy: -0.328 local terms energy: -424.721637 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -100.934 flat angles C4'-P-C4' energy: -113.263 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -36.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -640.767293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.767293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.767293 (E_RNA) where: Base-Base interactions energy: -258.229 where: short stacking energy: -177.939 Base-Backbone interact. energy: -0.718 local terms energy: -381.819721 where: bonds (distance) C4'-P energy: -136.082 bonds (distance) P-C4' energy: -108.598 flat angles C4'-P-C4' energy: -101.153 flat angles P-C4'-P energy: -41.731 tors. eta vs tors. theta energy: 5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2375.644625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.644625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.644625 (E_RNA) where: Base-Base interactions energy: -1652.476 where: short stacking energy: -734.124 Base-Backbone interact. energy: -4.346 local terms energy: -718.822194 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -134.991 flat angles C4'-P-C4' energy: -158.586 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -196.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2253.866334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.866334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.866334 (E_RNA) where: Base-Base interactions energy: -1531.610 where: short stacking energy: -684.779 Base-Backbone interact. energy: -2.561 local terms energy: -719.695310 where: bonds (distance) C4'-P energy: -148.080 bonds (distance) P-C4' energy: -132.411 flat angles C4'-P-C4' energy: -149.873 flat angles P-C4'-P energy: -99.588 tors. eta vs tors. theta energy: -189.744 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: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1956.868453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.868453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.868453 (E_RNA) where: Base-Base interactions energy: -1339.811 where: short stacking energy: -574.125 Base-Backbone interact. energy: -5.734 local terms energy: -611.323339 where: bonds (distance) C4'-P energy: -106.665 bonds (distance) P-C4' energy: -144.347 flat angles C4'-P-C4' energy: -137.134 flat angles P-C4'-P energy: -85.758 tors. eta vs tors. theta energy: -137.419 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: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1893.559518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.559518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.559518 (E_RNA) where: Base-Base interactions energy: -1291.889 where: short stacking energy: -585.107 Base-Backbone interact. energy: 3.177 local terms energy: -604.847172 where: bonds (distance) C4'-P energy: -104.980 bonds (distance) P-C4' energy: -143.836 flat angles C4'-P-C4' energy: -139.180 flat angles P-C4'-P energy: -77.951 tors. eta vs tors. theta energy: -138.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1744.241434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.241434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.241434 (E_RNA) where: Base-Base interactions energy: -1174.248 where: short stacking energy: -518.908 Base-Backbone interact. energy: 1.660 local terms energy: -572.418536 where: bonds (distance) C4'-P energy: -124.432 bonds (distance) P-C4' energy: -125.722 flat angles C4'-P-C4' energy: -125.272 flat angles P-C4'-P energy: -85.028 tors. eta vs tors. theta energy: -111.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.765 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1578.654083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.654083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.654083 (E_RNA) where: Base-Base interactions energy: -1054.154 where: short stacking energy: -460.320 Base-Backbone interact. energy: -2.284 local terms energy: -522.215529 where: bonds (distance) C4'-P energy: -118.949 bonds (distance) P-C4' energy: -115.749 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -57.537 tors. eta vs tors. theta energy: -102.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1483.826654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.826654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.826654 (E_RNA) where: Base-Base interactions energy: -958.058 where: short stacking energy: -432.789 Base-Backbone interact. energy: -3.686 local terms energy: -522.082131 where: bonds (distance) C4'-P energy: -114.536 bonds (distance) P-C4' energy: -126.777 flat angles C4'-P-C4' energy: -123.235 flat angles P-C4'-P energy: -77.935 tors. eta vs tors. theta energy: -79.598 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1251.504614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.504614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.504614 (E_RNA) where: Base-Base interactions energy: -761.399 where: short stacking energy: -339.886 Base-Backbone interact. energy: -2.174 local terms energy: -487.931400 where: bonds (distance) C4'-P energy: -120.086 bonds (distance) P-C4' energy: -126.971 flat angles C4'-P-C4' energy: -119.438 flat angles P-C4'-P energy: -78.756 tors. eta vs tors. theta energy: -42.681 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: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -947.563416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.563416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.563416 (E_RNA) where: Base-Base interactions energy: -534.708 where: short stacking energy: -297.516 Base-Backbone interact. energy: -2.423 local terms energy: -410.432280 where: bonds (distance) C4'-P energy: -105.499 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -100.067 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -47.874 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: 10, replica: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -618.756263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.756263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.756263 (E_RNA) where: Base-Base interactions energy: -298.841 where: short stacking energy: -224.771 Base-Backbone interact. energy: 4.775 local terms energy: -325.626567 where: bonds (distance) C4'-P energy: -100.462 bonds (distance) P-C4' energy: -105.822 flat angles C4'-P-C4' energy: -73.897 flat angles P-C4'-P energy: -37.862 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: 0.936 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2387.280007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.280007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.280007 (E_RNA) where: Base-Base interactions energy: -1651.473 where: short stacking energy: -743.246 Base-Backbone interact. energy: -5.729 local terms energy: -730.078139 where: bonds (distance) C4'-P energy: -133.178 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -148.853 flat angles P-C4'-P energy: -107.050 tors. eta vs tors. theta energy: -198.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2290.141148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.141148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.141148 (E_RNA) where: Base-Base interactions energy: -1581.043 where: short stacking energy: -715.760 Base-Backbone interact. energy: -5.216 local terms energy: -703.882503 where: bonds (distance) C4'-P energy: -131.773 bonds (distance) P-C4' energy: -123.752 flat angles C4'-P-C4' energy: -157.372 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -203.002 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: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2070.722003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.722003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.722003 (E_RNA) where: Base-Base interactions energy: -1446.830 where: short stacking energy: -557.221 Base-Backbone interact. energy: 1.318 local terms energy: -625.209593 where: bonds (distance) C4'-P energy: -121.591 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -136.213 flat angles P-C4'-P energy: -97.581 tors. eta vs tors. theta energy: -131.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1913.189629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.189629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.189629 (E_RNA) where: Base-Base interactions energy: -1303.162 where: short stacking energy: -552.070 Base-Backbone interact. energy: -3.749 local terms energy: -606.278165 where: bonds (distance) C4'-P energy: -116.444 bonds (distance) P-C4' energy: -129.050 flat angles C4'-P-C4' energy: -134.751 flat angles P-C4'-P energy: -96.351 tors. eta vs tors. theta energy: -129.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1772.400822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.400822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.400822 (E_RNA) where: Base-Base interactions energy: -1191.947 where: short stacking energy: -527.130 Base-Backbone interact. energy: 1.117 local terms energy: -582.435512 where: bonds (distance) C4'-P energy: -117.238 bonds (distance) P-C4' energy: -132.011 flat angles C4'-P-C4' energy: -126.132 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -114.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.864 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1600.580549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.580549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.580549 (E_RNA) where: Base-Base interactions energy: -1033.339 where: short stacking energy: -476.992 Base-Backbone interact. energy: -1.818 local terms energy: -565.423975 where: bonds (distance) C4'-P energy: -129.098 bonds (distance) P-C4' energy: -122.343 flat angles C4'-P-C4' energy: -131.063 flat angles P-C4'-P energy: -85.931 tors. eta vs tors. theta energy: -96.989 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: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1503.994400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.994400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.994400 (E_RNA) where: Base-Base interactions energy: -988.145 where: short stacking energy: -422.055 Base-Backbone interact. energy: -5.665 local terms energy: -510.183950 where: bonds (distance) C4'-P energy: -109.805 bonds (distance) P-C4' energy: -124.721 flat angles C4'-P-C4' energy: -120.805 flat angles P-C4'-P energy: -70.039 tors. eta vs tors. theta energy: -84.814 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: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1258.136187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.136187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.136187 (E_RNA) where: Base-Base interactions energy: -820.354 where: short stacking energy: -381.913 Base-Backbone interact. energy: 0.517 local terms energy: -438.299790 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -104.505 flat angles C4'-P-C4' energy: -114.582 flat angles P-C4'-P energy: -62.061 tors. eta vs tors. theta energy: -46.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1014.834759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.834759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.834759 (E_RNA) where: Base-Base interactions energy: -569.074 where: short stacking energy: -307.199 Base-Backbone interact. energy: 2.724 local terms energy: -448.484639 where: bonds (distance) C4'-P energy: -112.768 bonds (distance) P-C4' energy: -120.229 flat angles C4'-P-C4' energy: -114.780 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: -46.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -617.422283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.422283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.422283 (E_RNA) where: Base-Base interactions energy: -258.633 where: short stacking energy: -206.361 Base-Backbone interact. energy: 1.879 local terms energy: -360.668686 where: bonds (distance) C4'-P energy: -98.903 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -92.315 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2379.980141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.980141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.980141 (E_RNA) where: Base-Base interactions energy: -1630.158 where: short stacking energy: -723.061 Base-Backbone interact. energy: -4.347 local terms energy: -745.475290 where: bonds (distance) C4'-P energy: -128.975 bonds (distance) P-C4' energy: -137.070 flat angles C4'-P-C4' energy: -161.920 flat angles P-C4'-P energy: -120.725 tors. eta vs tors. theta energy: -196.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2255.093192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.093192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.093192 (E_RNA) where: Base-Base interactions energy: -1538.501 where: short stacking energy: -695.785 Base-Backbone interact. energy: -4.255 local terms energy: -712.336645 where: bonds (distance) C4'-P energy: -124.278 bonds (distance) P-C4' energy: -129.029 flat angles C4'-P-C4' energy: -168.021 flat angles P-C4'-P energy: -95.573 tors. eta vs tors. theta energy: -195.436 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: 49 Temperature: 1.000000 Total energy: -2026.171580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.171580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.171580 (E_RNA) where: Base-Base interactions energy: -1386.890 where: short stacking energy: -587.138 Base-Backbone interact. energy: -4.966 local terms energy: -634.315881 where: bonds (distance) C4'-P energy: -139.701 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -141.712 flat angles P-C4'-P energy: -93.554 tors. eta vs tors. theta energy: -135.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1942.987249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.987249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.987249 (E_RNA) where: Base-Base interactions energy: -1329.730 where: short stacking energy: -547.647 Base-Backbone interact. energy: -1.805 local terms energy: -611.452755 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -118.617 flat angles C4'-P-C4' energy: -149.068 flat angles P-C4'-P energy: -78.975 tors. eta vs tors. theta energy: -126.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1740.372021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.372021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.372021 (E_RNA) where: Base-Base interactions energy: -1151.337 where: short stacking energy: -522.052 Base-Backbone interact. energy: -2.940 local terms energy: -586.094714 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -119.869 flat angles C4'-P-C4' energy: -138.330 flat angles P-C4'-P energy: -95.699 tors. eta vs tors. theta energy: -117.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1608.368644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.368644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.368644 (E_RNA) where: Base-Base interactions energy: -1070.676 where: short stacking energy: -465.253 Base-Backbone interact. energy: -1.340 local terms energy: -536.353255 where: bonds (distance) C4'-P energy: -126.114 bonds (distance) P-C4' energy: -134.845 flat angles C4'-P-C4' energy: -112.145 flat angles P-C4'-P energy: -64.039 tors. eta vs tors. theta energy: -99.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1409.139399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.139399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.139399 (E_RNA) where: Base-Base interactions energy: -926.678 where: short stacking energy: -415.161 Base-Backbone interact. energy: 0.134 local terms energy: -482.595800 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -122.420 flat angles C4'-P-C4' energy: -111.634 flat angles P-C4'-P energy: -71.949 tors. eta vs tors. theta energy: -70.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1260.032821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.032821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.032821 (E_RNA) where: Base-Base interactions energy: -797.597 where: short stacking energy: -354.158 Base-Backbone interact. energy: -1.352 local terms energy: -461.083104 where: bonds (distance) C4'-P energy: -102.520 bonds (distance) P-C4' energy: -115.546 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -59.356 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: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1005.790310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.790310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.790310 (E_RNA) where: Base-Base interactions energy: -581.490 where: short stacking energy: -337.689 Base-Backbone interact. energy: -0.105 local terms energy: -424.195291 where: bonds (distance) C4'-P energy: -131.267 bonds (distance) P-C4' energy: -105.215 flat angles C4'-P-C4' energy: -110.927 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -26.250 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: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -567.933012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.933012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.933012 (E_RNA) where: Base-Base interactions energy: -218.799 where: short stacking energy: -209.808 Base-Backbone interact. energy: 4.723 local terms energy: -353.856518 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -90.336 flat angles P-C4'-P energy: -58.847 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: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2357.293784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.293784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.293784 (E_RNA) where: Base-Base interactions energy: -1644.713 where: short stacking energy: -718.218 Base-Backbone interact. energy: -2.961 local terms energy: -709.620106 where: bonds (distance) C4'-P energy: -124.828 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -149.492 flat angles P-C4'-P energy: -107.176 tors. eta vs tors. theta energy: -197.283 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: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2246.281357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.281357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.281357 (E_RNA) where: Base-Base interactions energy: -1521.133 where: short stacking energy: -668.575 Base-Backbone interact. energy: -2.910 local terms energy: -722.238740 where: bonds (distance) C4'-P energy: -137.853 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -150.343 flat angles P-C4'-P energy: -102.454 tors. eta vs tors. theta energy: -190.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1984.773171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.773171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.773171 (E_RNA) where: Base-Base interactions energy: -1347.531 where: short stacking energy: -578.981 Base-Backbone interact. energy: 4.336 local terms energy: -641.578471 where: bonds (distance) C4'-P energy: -136.890 bonds (distance) P-C4' energy: -147.686 flat angles C4'-P-C4' energy: -143.721 flat angles P-C4'-P energy: -75.607 tors. eta vs tors. theta energy: -137.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1961.830600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.830600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.830600 (E_RNA) where: Base-Base interactions energy: -1338.222 where: short stacking energy: -589.998 Base-Backbone interact. energy: -3.799 local terms energy: -619.808832 where: bonds (distance) C4'-P energy: -118.720 bonds (distance) P-C4' energy: -133.427 flat angles C4'-P-C4' energy: -141.829 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -155.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1745.272378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.272378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.272378 (E_RNA) where: Base-Base interactions energy: -1172.854 where: short stacking energy: -530.559 Base-Backbone interact. energy: -4.461 local terms energy: -567.956527 where: bonds (distance) C4'-P energy: -115.343 bonds (distance) P-C4' energy: -124.044 flat angles C4'-P-C4' energy: -122.440 flat angles P-C4'-P energy: -86.157 tors. eta vs tors. theta energy: -119.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1616.461300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.461300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.461300 (E_RNA) where: Base-Base interactions energy: -1082.866 where: short stacking energy: -463.738 Base-Backbone interact. energy: -3.336 local terms energy: -530.260019 where: bonds (distance) C4'-P energy: -110.769 bonds (distance) P-C4' energy: -124.632 flat angles C4'-P-C4' energy: -116.733 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -109.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1417.939023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.939023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.939023 (E_RNA) where: Base-Base interactions energy: -917.281 where: short stacking energy: -430.824 Base-Backbone interact. energy: -7.441 local terms energy: -493.217623 where: bonds (distance) C4'-P energy: -113.091 bonds (distance) P-C4' energy: -106.035 flat angles C4'-P-C4' energy: -117.198 flat angles P-C4'-P energy: -71.213 tors. eta vs tors. theta energy: -85.681 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: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1240.500028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.500028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.500028 (E_RNA) where: Base-Base interactions energy: -805.213 where: short stacking energy: -371.380 Base-Backbone interact. energy: 2.830 local terms energy: -438.117294 where: bonds (distance) C4'-P energy: -101.577 bonds (distance) P-C4' energy: -101.794 flat angles C4'-P-C4' energy: -111.273 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: -54.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -988.664413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.664413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.664413 (E_RNA) where: Base-Base interactions energy: -574.355 where: short stacking energy: -305.920 Base-Backbone interact. energy: 5.595 local terms energy: -419.904636 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -103.018 flat angles C4'-P-C4' energy: -102.577 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -32.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -613.804412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.804412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.804412 (E_RNA) where: Base-Base interactions energy: -213.368 where: short stacking energy: -176.822 Base-Backbone interact. energy: 1.668 local terms energy: -402.844668 where: bonds (distance) C4'-P energy: -105.032 bonds (distance) P-C4' energy: -133.146 flat angles C4'-P-C4' energy: -115.947 flat angles P-C4'-P energy: -65.326 tors. eta vs tors. theta energy: 16.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2356.512290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.512290 (E_RNA) where: Base-Base interactions energy: -1598.415 where: short stacking energy: -704.833 Base-Backbone interact. energy: -1.919 local terms energy: -756.178622 where: bonds (distance) C4'-P energy: -144.324 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -193.585 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: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2285.638747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.638747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.638747 (E_RNA) where: Base-Base interactions energy: -1574.405 where: short stacking energy: -738.015 Base-Backbone interact. energy: 1.026 local terms energy: -712.259995 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -142.798 flat angles P-C4'-P energy: -97.285 tors. eta vs tors. theta energy: -207.448 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: 51 Temperature: 1.000000 Total energy: -1977.114630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.114630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.114630 (E_RNA) where: Base-Base interactions energy: -1317.215 where: short stacking energy: -543.906 Base-Backbone interact. energy: -6.758 local terms energy: -653.141638 where: bonds (distance) C4'-P energy: -136.409 bonds (distance) P-C4' energy: -145.314 flat angles C4'-P-C4' energy: -146.151 flat angles P-C4'-P energy: -93.734 tors. eta vs tors. theta energy: -131.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1943.373362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.373362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.373362 (E_RNA) where: Base-Base interactions energy: -1337.279 where: short stacking energy: -607.884 Base-Backbone interact. energy: -1.763 local terms energy: -604.331831 where: bonds (distance) C4'-P energy: -109.994 bonds (distance) P-C4' energy: -129.284 flat angles C4'-P-C4' energy: -132.727 flat angles P-C4'-P energy: -87.333 tors. eta vs tors. theta energy: -144.995 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: 51 Temperature: 1.100000 Total energy: -1768.277498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.277498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.277498 (E_RNA) where: Base-Base interactions energy: -1186.190 where: short stacking energy: -517.327 Base-Backbone interact. energy: -4.942 local terms energy: -577.145657 where: bonds (distance) C4'-P energy: -120.839 bonds (distance) P-C4' energy: -116.151 flat angles C4'-P-C4' energy: -135.285 flat angles P-C4'-P energy: -84.248 tors. eta vs tors. theta energy: -120.622 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: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1565.616075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.616075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.616075 (E_RNA) where: Base-Base interactions energy: -1024.182 where: short stacking energy: -465.449 Base-Backbone interact. energy: 5.989 local terms energy: -547.423335 where: bonds (distance) C4'-P energy: -115.219 bonds (distance) P-C4' energy: -124.753 flat angles C4'-P-C4' energy: -121.451 flat angles P-C4'-P energy: -86.847 tors. eta vs tors. theta energy: -99.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1425.833031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.833031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.833031 (E_RNA) where: Base-Base interactions energy: -912.421 where: short stacking energy: -410.667 Base-Backbone interact. energy: -2.325 local terms energy: -511.087043 where: bonds (distance) C4'-P energy: -126.831 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -115.040 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -69.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1197.794477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.794477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.794477 (E_RNA) where: Base-Base interactions energy: -762.440 where: short stacking energy: -333.017 Base-Backbone interact. energy: -1.196 local terms energy: -434.158726 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -105.731 flat angles C4'-P-C4' energy: -113.344 flat angles P-C4'-P energy: -62.227 tors. eta vs tors. theta energy: -34.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1025.870391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.870391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.870391 (E_RNA) where: Base-Base interactions energy: -603.883 where: short stacking energy: -326.660 Base-Backbone interact. energy: -3.280 local terms energy: -418.708083 where: bonds (distance) C4'-P energy: -98.121 bonds (distance) P-C4' energy: -120.376 flat angles C4'-P-C4' energy: -91.327 flat angles P-C4'-P energy: -65.473 tors. eta vs tors. theta energy: -43.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -694.961852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.961852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.961852 (E_RNA) where: Base-Base interactions energy: -335.742 where: short stacking energy: -206.844 Base-Backbone interact. energy: 3.385 local terms energy: -362.605496 where: bonds (distance) C4'-P energy: -94.494 bonds (distance) P-C4' energy: -116.542 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: 0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2371.705580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.705580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.705580 (E_RNA) where: Base-Base interactions energy: -1659.890 where: short stacking energy: -714.682 Base-Backbone interact. energy: -3.436 local terms energy: -708.379129 where: bonds (distance) C4'-P energy: -127.707 bonds (distance) P-C4' energy: -141.753 flat angles C4'-P-C4' energy: -150.943 flat angles P-C4'-P energy: -92.440 tors. eta vs tors. theta energy: -195.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2302.534547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.534547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.534547 (E_RNA) where: Base-Base interactions energy: -1550.822 where: short stacking energy: -699.502 Base-Backbone interact. energy: -4.344 local terms energy: -747.368144 where: bonds (distance) C4'-P energy: -152.399 bonds (distance) P-C4' energy: -139.618 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -113.728 tors. eta vs tors. theta energy: -198.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2048.531137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.531137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.531137 (E_RNA) where: Base-Base interactions energy: -1415.786 where: short stacking energy: -605.059 Base-Backbone interact. energy: 0.608 local terms energy: -633.353052 where: bonds (distance) C4'-P energy: -123.255 bonds (distance) P-C4' energy: -124.898 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -91.663 tors. eta vs tors. theta energy: -152.150 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: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1963.005224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.005224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.005224 (E_RNA) where: Base-Base interactions energy: -1329.792 where: short stacking energy: -572.286 Base-Backbone interact. energy: -3.110 local terms energy: -630.103160 where: bonds (distance) C4'-P energy: -136.213 bonds (distance) P-C4' energy: -137.267 flat angles C4'-P-C4' energy: -144.005 flat angles P-C4'-P energy: -77.004 tors. eta vs tors. theta energy: -135.614 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: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1740.665626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.665626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.665626 (E_RNA) where: Base-Base interactions energy: -1185.057 where: short stacking energy: -497.869 Base-Backbone interact. energy: -6.064 local terms energy: -549.544304 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -129.379 flat angles P-C4'-P energy: -74.114 tors. eta vs tors. theta energy: -119.272 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: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1581.774320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.774320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.774320 (E_RNA) where: Base-Base interactions energy: -1032.555 where: short stacking energy: -487.816 Base-Backbone interact. energy: -2.689 local terms energy: -546.530281 where: bonds (distance) C4'-P energy: -105.259 bonds (distance) P-C4' energy: -145.194 flat angles C4'-P-C4' energy: -109.083 flat angles P-C4'-P energy: -76.042 tors. eta vs tors. theta energy: -110.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1486.296863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.296863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.296863 (E_RNA) where: Base-Base interactions energy: -973.662 where: short stacking energy: -450.690 Base-Backbone interact. energy: 1.928 local terms energy: -514.563254 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -112.743 flat angles C4'-P-C4' energy: -115.302 flat angles P-C4'-P energy: -65.706 tors. eta vs tors. theta energy: -86.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1307.540387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.540387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.540387 (E_RNA) where: Base-Base interactions energy: -796.518 where: short stacking energy: -387.608 Base-Backbone interact. energy: 1.583 local terms energy: -512.604959 where: bonds (distance) C4'-P energy: -114.875 bonds (distance) P-C4' energy: -136.544 flat angles C4'-P-C4' energy: -126.586 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -62.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -986.361600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.361600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.361600 (E_RNA) where: Base-Base interactions energy: -550.361 where: short stacking energy: -291.669 Base-Backbone interact. energy: 1.737 local terms energy: -437.737747 where: bonds (distance) C4'-P energy: -98.672 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -109.295 flat angles P-C4'-P energy: -72.047 tors. eta vs tors. theta energy: -34.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -672.897576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.897576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.897576 (E_RNA) where: Base-Base interactions energy: -339.257 where: short stacking energy: -207.811 Base-Backbone interact. energy: -1.234 local terms energy: -332.405979 where: bonds (distance) C4'-P energy: -106.086 bonds (distance) P-C4' energy: -102.561 flat angles C4'-P-C4' energy: -102.147 flat angles P-C4'-P energy: -34.988 tors. eta vs tors. theta energy: 13.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2361.005890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.005890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.005890 (E_RNA) where: Base-Base interactions energy: -1656.883 where: short stacking energy: -706.041 Base-Backbone interact. energy: -3.411 local terms energy: -700.711481 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -126.763 flat angles C4'-P-C4' energy: -148.964 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -195.430 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: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2251.828232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.828232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.828232 (E_RNA) where: Base-Base interactions energy: -1523.596 where: short stacking energy: -677.945 Base-Backbone interact. energy: -4.561 local terms energy: -723.671441 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -146.901 flat angles C4'-P-C4' energy: -150.167 flat angles P-C4'-P energy: -108.221 tors. eta vs tors. theta energy: -189.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2024.679096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.679096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.679096 (E_RNA) where: Base-Base interactions energy: -1438.023 where: short stacking energy: -603.545 Base-Backbone interact. energy: -1.480 local terms energy: -585.176281 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -120.574 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -130.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1973.528245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.528245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.528245 (E_RNA) where: Base-Base interactions energy: -1385.409 where: short stacking energy: -589.724 Base-Backbone interact. energy: 0.354 local terms energy: -588.473065 where: bonds (distance) C4'-P energy: -121.037 bonds (distance) P-C4' energy: -132.506 flat angles C4'-P-C4' energy: -124.872 flat angles P-C4'-P energy: -77.909 tors. eta vs tors. theta energy: -132.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1767.686425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.686425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.686425 (E_RNA) where: Base-Base interactions energy: -1174.778 where: short stacking energy: -471.503 Base-Backbone interact. energy: -2.902 local terms energy: -590.006144 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -131.956 flat angles C4'-P-C4' energy: -124.968 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -118.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1652.151605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.151605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.151605 (E_RNA) where: Base-Base interactions energy: -1090.251 where: short stacking energy: -513.705 Base-Backbone interact. energy: -1.337 local terms energy: -560.563150 where: bonds (distance) C4'-P energy: -115.464 bonds (distance) P-C4' energy: -117.664 flat angles C4'-P-C4' energy: -134.883 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -119.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1500.157112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.157112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.157112 (E_RNA) where: Base-Base interactions energy: -985.957 where: short stacking energy: -459.894 Base-Backbone interact. energy: -0.673 local terms energy: -513.527299 where: bonds (distance) C4'-P energy: -109.598 bonds (distance) P-C4' energy: -136.587 flat angles C4'-P-C4' energy: -111.354 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -94.174 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: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1323.757272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.757272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.757272 (E_RNA) where: Base-Base interactions energy: -845.075 where: short stacking energy: -394.938 Base-Backbone interact. energy: -2.186 local terms energy: -476.495899 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -86.744 tors. eta vs tors. theta energy: -66.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1095.583864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.583864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.583864 (E_RNA) where: Base-Base interactions energy: -671.335 where: short stacking energy: -337.660 Base-Backbone interact. energy: -2.867 local terms energy: -421.381751 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -93.294 flat angles C4'-P-C4' energy: -114.969 flat angles P-C4'-P energy: -61.324 tors. eta vs tors. theta energy: -57.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -693.464206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.464206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.464206 (E_RNA) where: Base-Base interactions energy: -372.124 where: short stacking energy: -218.700 Base-Backbone interact. energy: 1.383 local terms energy: -322.723121 where: bonds (distance) C4'-P energy: -94.129 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -80.684 flat angles P-C4'-P energy: -44.874 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2358.729980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.729980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.729980 (E_RNA) where: Base-Base interactions energy: -1636.597 where: short stacking energy: -677.711 Base-Backbone interact. energy: -1.732 local terms energy: -720.401388 where: bonds (distance) C4'-P energy: -131.556 bonds (distance) P-C4' energy: -149.530 flat angles C4'-P-C4' energy: -161.209 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -181.776 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: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2284.067261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.067261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.067261 (E_RNA) where: Base-Base interactions energy: -1565.069 where: short stacking energy: -696.657 Base-Backbone interact. energy: -0.404 local terms energy: -718.593857 where: bonds (distance) C4'-P energy: -137.608 bonds (distance) P-C4' energy: -136.169 flat angles C4'-P-C4' energy: -155.259 flat angles P-C4'-P energy: -99.366 tors. eta vs tors. theta energy: -190.192 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2076.180938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.180938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.180938 (E_RNA) where: Base-Base interactions energy: -1440.818 where: short stacking energy: -614.197 Base-Backbone interact. energy: -2.448 local terms energy: -632.914230 where: bonds (distance) C4'-P energy: -124.200 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -150.005 flat angles P-C4'-P energy: -85.210 tors. eta vs tors. theta energy: -154.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1922.922072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.922072 (E_RNA) where: Base-Base interactions energy: -1319.141 where: short stacking energy: -523.203 Base-Backbone interact. energy: -2.926 local terms energy: -600.855650 where: bonds (distance) C4'-P energy: -126.257 bonds (distance) P-C4' energy: -132.733 flat angles C4'-P-C4' energy: -134.694 flat angles P-C4'-P energy: -84.542 tors. eta vs tors. theta energy: -122.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1801.738828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.738828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.738828 (E_RNA) where: Base-Base interactions energy: -1217.792 where: short stacking energy: -533.313 Base-Backbone interact. energy: 2.626 local terms energy: -586.573293 where: bonds (distance) C4'-P energy: -106.078 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -137.668 flat angles P-C4'-P energy: -87.302 tors. eta vs tors. theta energy: -127.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1608.172206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.172206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.172206 (E_RNA) where: Base-Base interactions energy: -1063.059 where: short stacking energy: -509.263 Base-Backbone interact. energy: -1.059 local terms energy: -544.054600 where: bonds (distance) C4'-P energy: -107.996 bonds (distance) P-C4' energy: -122.153 flat angles C4'-P-C4' energy: -139.258 flat angles P-C4'-P energy: -68.957 tors. eta vs tors. theta energy: -105.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1514.355665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.355665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.355665 (E_RNA) where: Base-Base interactions energy: -998.382 where: short stacking energy: -452.555 Base-Backbone interact. energy: -2.453 local terms energy: -513.520802 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -128.869 flat angles C4'-P-C4' energy: -128.231 flat angles P-C4'-P energy: -68.417 tors. eta vs tors. theta energy: -76.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1336.070581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.070581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.070581 (E_RNA) where: Base-Base interactions energy: -861.427 where: short stacking energy: -394.350 Base-Backbone interact. energy: -2.433 local terms energy: -472.496063 where: bonds (distance) C4'-P energy: -106.007 bonds (distance) P-C4' energy: -119.252 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -63.558 tors. eta vs tors. theta energy: -71.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.286 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1044.838501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.838501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.838501 (E_RNA) where: Base-Base interactions energy: -634.763 where: short stacking energy: -284.312 Base-Backbone interact. energy: 0.378 local terms energy: -410.453844 where: bonds (distance) C4'-P energy: -109.251 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -82.661 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -38.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -652.395885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.395885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.395885 (E_RNA) where: Base-Base interactions energy: -276.533 where: short stacking energy: -215.630 Base-Backbone interact. energy: 1.136 local terms energy: -376.999381 where: bonds (distance) C4'-P energy: -108.687 bonds (distance) P-C4' energy: -109.861 flat angles C4'-P-C4' energy: -96.159 flat angles P-C4'-P energy: -61.029 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2383.087818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.087818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.087818 (E_RNA) where: Base-Base interactions energy: -1679.799 where: short stacking energy: -690.321 Base-Backbone interact. energy: -4.588 local terms energy: -698.701088 where: bonds (distance) C4'-P energy: -137.037 bonds (distance) P-C4' energy: -142.323 flat angles C4'-P-C4' energy: -150.683 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -175.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2260.474030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.474030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.474030 (E_RNA) where: Base-Base interactions energy: -1575.411 where: short stacking energy: -706.010 Base-Backbone interact. energy: -1.349 local terms energy: -683.714892 where: bonds (distance) C4'-P energy: -115.943 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -159.452 flat angles P-C4'-P energy: -102.709 tors. eta vs tors. theta energy: -185.408 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: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2066.827304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.827304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.827304 (E_RNA) where: Base-Base interactions energy: -1433.342 where: short stacking energy: -620.657 Base-Backbone interact. energy: -3.893 local terms energy: -629.592398 where: bonds (distance) C4'-P energy: -128.572 bonds (distance) P-C4' energy: -135.135 flat angles C4'-P-C4' energy: -141.199 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -142.632 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: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1907.302679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.302679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.302679 (E_RNA) where: Base-Base interactions energy: -1305.304 where: short stacking energy: -562.235 Base-Backbone interact. energy: 7.901 local terms energy: -609.900160 where: bonds (distance) C4'-P energy: -125.996 bonds (distance) P-C4' energy: -131.298 flat angles C4'-P-C4' energy: -131.377 flat angles P-C4'-P energy: -90.830 tors. eta vs tors. theta energy: -130.398 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: 55 Temperature: 1.100000 Total energy: -1822.810136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.810136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.810136 (E_RNA) where: Base-Base interactions energy: -1221.415 where: short stacking energy: -546.292 Base-Backbone interact. energy: -2.339 local terms energy: -599.056069 where: bonds (distance) C4'-P energy: -134.708 bonds (distance) P-C4' energy: -126.968 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -86.844 tors. eta vs tors. theta energy: -121.502 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: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1652.370649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.370649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.370649 (E_RNA) where: Base-Base interactions energy: -1100.494 where: short stacking energy: -537.196 Base-Backbone interact. energy: -2.864 local terms energy: -549.012408 where: bonds (distance) C4'-P energy: -118.009 bonds (distance) P-C4' energy: -114.197 flat angles C4'-P-C4' energy: -117.891 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -117.649 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: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1532.927859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.927859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.927859 (E_RNA) where: Base-Base interactions energy: -1060.384 where: short stacking energy: -434.116 Base-Backbone interact. energy: 8.771 local terms energy: -481.315117 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -118.118 flat angles C4'-P-C4' energy: -115.409 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -62.610 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: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1298.954442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.954442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.954442 (E_RNA) where: Base-Base interactions energy: -843.915 where: short stacking energy: -366.976 Base-Backbone interact. energy: -1.896 local terms energy: -453.143845 where: bonds (distance) C4'-P energy: -122.867 bonds (distance) P-C4' energy: -98.102 flat angles C4'-P-C4' energy: -100.685 flat angles P-C4'-P energy: -78.783 tors. eta vs tors. theta energy: -52.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1066.974521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.974521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.974521 (E_RNA) where: Base-Base interactions energy: -639.763 where: short stacking energy: -291.621 Base-Backbone interact. energy: 4.421 local terms energy: -431.632169 where: bonds (distance) C4'-P energy: -105.995 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -27.566 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: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -687.337068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.337068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.337068 (E_RNA) where: Base-Base interactions energy: -331.882 where: short stacking energy: -209.039 Base-Backbone interact. energy: -1.231 local terms energy: -354.223195 where: bonds (distance) C4'-P energy: -115.420 bonds (distance) P-C4' energy: -116.794 flat angles C4'-P-C4' energy: -84.596 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: 10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2373.688756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.688756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.688756 (E_RNA) where: Base-Base interactions energy: -1657.821 where: short stacking energy: -704.397 Base-Backbone interact. energy: -0.192 local terms energy: -715.675283 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -105.158 tors. eta vs tors. theta energy: -176.546 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: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2297.861863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.861863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.861863 (E_RNA) where: Base-Base interactions energy: -1598.604 where: short stacking energy: -730.130 Base-Backbone interact. energy: 0.350 local terms energy: -699.607647 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -147.661 flat angles P-C4'-P energy: -86.601 tors. eta vs tors. theta energy: -207.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2115.213249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.213249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.213249 (E_RNA) where: Base-Base interactions energy: -1443.586 where: short stacking energy: -632.240 Base-Backbone interact. energy: -3.613 local terms energy: -668.014534 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -138.152 flat angles C4'-P-C4' energy: -148.856 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -161.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1890.076414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.076414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.076414 (E_RNA) where: Base-Base interactions energy: -1304.734 where: short stacking energy: -568.304 Base-Backbone interact. energy: -0.450 local terms energy: -584.892827 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -115.372 flat angles C4'-P-C4' energy: -135.470 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -141.019 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: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1807.454140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.454140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.454140 (E_RNA) where: Base-Base interactions energy: -1225.036 where: short stacking energy: -521.744 Base-Backbone interact. energy: 0.974 local terms energy: -583.391415 where: bonds (distance) C4'-P energy: -128.023 bonds (distance) P-C4' energy: -124.480 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -84.089 tors. eta vs tors. theta energy: -101.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1621.850534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.850534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.850534 (E_RNA) where: Base-Base interactions energy: -1090.861 where: short stacking energy: -495.999 Base-Backbone interact. energy: 2.126 local terms energy: -533.116141 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -122.573 flat angles C4'-P-C4' energy: -116.760 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: -106.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1557.375275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.375275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.375275 (E_RNA) where: Base-Base interactions energy: -1078.959 where: short stacking energy: -491.737 Base-Backbone interact. energy: -2.078 local terms energy: -476.337536 where: bonds (distance) C4'-P energy: -94.244 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -116.404 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: -73.224 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: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1363.344684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.344684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.344684 (E_RNA) where: Base-Base interactions energy: -885.771 where: short stacking energy: -423.929 Base-Backbone interact. energy: -2.466 local terms energy: -475.107724 where: bonds (distance) C4'-P energy: -91.985 bonds (distance) P-C4' energy: -117.580 flat angles C4'-P-C4' energy: -119.220 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -66.648 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: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1055.231172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.231172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.231172 (E_RNA) where: Base-Base interactions energy: -651.551 where: short stacking energy: -303.267 Base-Backbone interact. energy: 2.763 local terms energy: -406.443408 where: bonds (distance) C4'-P energy: -108.991 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -99.675 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -24.187 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: 56 Temperature: 1.350000 Total energy: -678.518128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.518128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.518128 (E_RNA) where: Base-Base interactions energy: -314.226 where: short stacking energy: -225.862 Base-Backbone interact. energy: 0.372 local terms energy: -364.664236 where: bonds (distance) C4'-P energy: -113.294 bonds (distance) P-C4' energy: -117.080 flat angles C4'-P-C4' energy: -70.582 flat angles P-C4'-P energy: -55.845 tors. eta vs tors. theta energy: -7.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2380.350107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.350107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.350107 (E_RNA) where: Base-Base interactions energy: -1665.668 where: short stacking energy: -705.178 Base-Backbone interact. energy: -5.178 local terms energy: -709.503467 where: bonds (distance) C4'-P energy: -142.508 bonds (distance) P-C4' energy: -129.653 flat angles C4'-P-C4' energy: -157.591 flat angles P-C4'-P energy: -98.032 tors. eta vs tors. theta energy: -181.719 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: 2, replica: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2311.298201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.298201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.298201 (E_RNA) where: Base-Base interactions energy: -1577.725 where: short stacking energy: -706.541 Base-Backbone interact. energy: -1.327 local terms energy: -732.246174 where: bonds (distance) C4'-P energy: -126.612 bonds (distance) P-C4' energy: -134.027 flat angles C4'-P-C4' energy: -161.979 flat angles P-C4'-P energy: -106.413 tors. eta vs tors. theta energy: -203.214 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: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2111.445707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.445707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.445707 (E_RNA) where: Base-Base interactions energy: -1473.432 where: short stacking energy: -645.057 Base-Backbone interact. energy: -4.680 local terms energy: -633.333529 where: bonds (distance) C4'-P energy: -126.410 bonds (distance) P-C4' energy: -133.502 flat angles C4'-P-C4' energy: -122.570 flat angles P-C4'-P energy: -93.560 tors. eta vs tors. theta energy: -157.291 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: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1898.171188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.171188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.171188 (E_RNA) where: Base-Base interactions energy: -1289.583 where: short stacking energy: -582.997 Base-Backbone interact. energy: 1.941 local terms energy: -610.528971 where: bonds (distance) C4'-P energy: -112.306 bonds (distance) P-C4' energy: -131.906 flat angles C4'-P-C4' energy: -144.276 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -144.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1834.097817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.097817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.097817 (E_RNA) where: Base-Base interactions energy: -1230.744 where: short stacking energy: -545.789 Base-Backbone interact. energy: -1.299 local terms energy: -602.772574 where: bonds (distance) C4'-P energy: -124.828 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -126.612 flat angles P-C4'-P energy: -83.664 tors. eta vs tors. theta energy: -132.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.718 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1662.605091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.605091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.605091 (E_RNA) where: Base-Base interactions energy: -1107.195 where: short stacking energy: -516.861 Base-Backbone interact. energy: 1.068 local terms energy: -556.478708 where: bonds (distance) C4'-P energy: -111.796 bonds (distance) P-C4' energy: -109.352 flat angles C4'-P-C4' energy: -133.198 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: -119.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1527.154457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.154457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.154457 (E_RNA) where: Base-Base interactions energy: -1037.223 where: short stacking energy: -460.032 Base-Backbone interact. energy: -4.727 local terms energy: -485.204454 where: bonds (distance) C4'-P energy: -106.270 bonds (distance) P-C4' energy: -117.198 flat angles C4'-P-C4' energy: -121.696 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -82.724 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: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1326.419576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.419576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.419576 (E_RNA) where: Base-Base interactions energy: -850.076 where: short stacking energy: -382.207 Base-Backbone interact. energy: -5.528 local terms energy: -470.815998 where: bonds (distance) C4'-P energy: -104.023 bonds (distance) P-C4' energy: -115.190 flat angles C4'-P-C4' energy: -115.621 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -69.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1024.819384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.819384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.819384 (E_RNA) where: Base-Base interactions energy: -593.998 where: short stacking energy: -301.159 Base-Backbone interact. energy: 1.948 local terms energy: -432.769198 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -118.609 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -30.267 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: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -688.053907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.053907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.053907 (E_RNA) where: Base-Base interactions energy: -323.197 where: short stacking energy: -194.320 Base-Backbone interact. energy: 8.647 local terms energy: -374.268963 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -99.906 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.765 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2361.832158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.832158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.832158 (E_RNA) where: Base-Base interactions energy: -1647.120 where: short stacking energy: -704.217 Base-Backbone interact. energy: -4.833 local terms energy: -709.879495 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -139.153 flat angles C4'-P-C4' energy: -150.567 flat angles P-C4'-P energy: -100.784 tors. eta vs tors. theta energy: -188.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2293.476188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.476188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.476188 (E_RNA) where: Base-Base interactions energy: -1572.845 where: short stacking energy: -715.607 Base-Backbone interact. energy: 1.928 local terms energy: -722.559407 where: bonds (distance) C4'-P energy: -141.141 bonds (distance) P-C4' energy: -137.532 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -107.563 tors. eta vs tors. theta energy: -195.736 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2120.354104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.354104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.354104 (E_RNA) where: Base-Base interactions energy: -1487.360 where: short stacking energy: -618.436 Base-Backbone interact. energy: -4.524 local terms energy: -628.470179 where: bonds (distance) C4'-P energy: -124.107 bonds (distance) P-C4' energy: -121.862 flat angles C4'-P-C4' energy: -130.156 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -158.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1896.000600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.000600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.000600 (E_RNA) where: Base-Base interactions energy: -1299.503 where: short stacking energy: -570.667 Base-Backbone interact. energy: -2.832 local terms energy: -593.666242 where: bonds (distance) C4'-P energy: -122.940 bonds (distance) P-C4' energy: -111.408 flat angles C4'-P-C4' energy: -140.029 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -136.554 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: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1809.422322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.422322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.422322 (E_RNA) where: Base-Base interactions energy: -1239.431 where: short stacking energy: -545.982 Base-Backbone interact. energy: -1.403 local terms energy: -570.096389 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -119.568 flat angles C4'-P-C4' energy: -142.431 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -126.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.507 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1689.068503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.068503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.068503 (E_RNA) where: Base-Base interactions energy: -1099.486 where: short stacking energy: -533.002 Base-Backbone interact. energy: -1.182 local terms energy: -588.400493 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -123.736 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -78.893 tors. eta vs tors. theta energy: -138.069 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: 58 Temperature: 1.200000 Total energy: -1544.561636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.561636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.561636 (E_RNA) where: Base-Base interactions energy: -1012.140 where: short stacking energy: -417.080 Base-Backbone interact. energy: -3.133 local terms energy: -529.288622 where: bonds (distance) C4'-P energy: -128.016 bonds (distance) P-C4' energy: -123.049 flat angles C4'-P-C4' energy: -118.770 flat angles P-C4'-P energy: -73.021 tors. eta vs tors. theta energy: -86.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1304.678664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.678664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.678664 (E_RNA) where: Base-Base interactions energy: -862.733 where: short stacking energy: -373.883 Base-Backbone interact. energy: -0.003 local terms energy: -441.942656 where: bonds (distance) C4'-P energy: -98.664 bonds (distance) P-C4' energy: -120.968 flat angles C4'-P-C4' energy: -101.808 flat angles P-C4'-P energy: -70.202 tors. eta vs tors. theta energy: -50.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -996.895912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.895912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.895912 (E_RNA) where: Base-Base interactions energy: -571.722 where: short stacking energy: -286.416 Base-Backbone interact. energy: -0.540 local terms energy: -424.634633 where: bonds (distance) C4'-P energy: -103.912 bonds (distance) P-C4' energy: -131.423 flat angles C4'-P-C4' energy: -116.243 flat angles P-C4'-P energy: -61.481 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: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -748.151865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.151865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.151865 (E_RNA) where: Base-Base interactions energy: -353.015 where: short stacking energy: -219.231 Base-Backbone interact. energy: 0.543 local terms energy: -395.679777 where: bonds (distance) C4'-P energy: -103.406 bonds (distance) P-C4' energy: -122.990 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2371.133217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.133217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.133217 (E_RNA) where: Base-Base interactions energy: -1663.542 where: short stacking energy: -715.293 Base-Backbone interact. energy: -1.164 local terms energy: -706.427046 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -140.574 flat angles C4'-P-C4' energy: -157.704 flat angles P-C4'-P energy: -98.308 tors. eta vs tors. theta energy: -187.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2278.878759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.878759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.878759 (E_RNA) where: Base-Base interactions energy: -1605.541 where: short stacking energy: -692.246 Base-Backbone interact. energy: 0.884 local terms energy: -674.220985 where: bonds (distance) C4'-P energy: -141.202 bonds (distance) P-C4' energy: -139.287 flat angles C4'-P-C4' energy: -135.112 flat angles P-C4'-P energy: -72.860 tors. eta vs tors. theta energy: -185.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2115.125785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.125785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.125785 (E_RNA) where: Base-Base interactions energy: -1449.940 where: short stacking energy: -603.902 Base-Backbone interact. energy: -3.080 local terms energy: -662.105455 where: bonds (distance) C4'-P energy: -132.132 bonds (distance) P-C4' energy: -151.700 flat angles C4'-P-C4' energy: -145.889 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -144.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1891.117577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.117577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.117577 (E_RNA) where: Base-Base interactions energy: -1261.883 where: short stacking energy: -549.950 Base-Backbone interact. energy: -3.559 local terms energy: -625.675062 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -129.913 flat angles P-C4'-P energy: -91.705 tors. eta vs tors. theta energy: -129.893 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: 59 Temperature: 1.100000 Total energy: -1769.146112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.146112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.146112 (E_RNA) where: Base-Base interactions energy: -1180.149 where: short stacking energy: -507.135 Base-Backbone interact. energy: -1.324 local terms energy: -587.673580 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -149.310 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -107.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1638.795653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.795653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.795653 (E_RNA) where: Base-Base interactions energy: -1080.107 where: short stacking energy: -463.429 Base-Backbone interact. energy: -2.395 local terms energy: -556.293184 where: bonds (distance) C4'-P energy: -120.913 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -135.301 flat angles P-C4'-P energy: -75.541 tors. eta vs tors. theta energy: -101.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1564.925969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.925969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.925969 (E_RNA) where: Base-Base interactions energy: -1032.626 where: short stacking energy: -423.166 Base-Backbone interact. energy: -3.164 local terms energy: -529.136103 where: bonds (distance) C4'-P energy: -122.572 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -129.346 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -78.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1373.345352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.345352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.345352 (E_RNA) where: Base-Base interactions energy: -872.809 where: short stacking energy: -378.018 Base-Backbone interact. energy: -2.480 local terms energy: -498.056722 where: bonds (distance) C4'-P energy: -106.302 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -112.543 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -70.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1019.941402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.941402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.941402 (E_RNA) where: Base-Base interactions energy: -606.268 where: short stacking energy: -308.233 Base-Backbone interact. energy: 3.224 local terms energy: -416.897253 where: bonds (distance) C4'-P energy: -99.327 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -96.222 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -33.228 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: 10, replica: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -855.472754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.472754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.472754 (E_RNA) where: Base-Base interactions energy: -454.247 where: short stacking energy: -259.989 Base-Backbone interact. energy: 0.123 local terms energy: -401.349368 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -101.722 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2367.143772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.143772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.143772 (E_RNA) where: Base-Base interactions energy: -1655.679 where: short stacking energy: -695.914 Base-Backbone interact. energy: -3.763 local terms energy: -707.701793 where: bonds (distance) C4'-P energy: -139.318 bonds (distance) P-C4' energy: -137.209 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -191.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2306.787314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.787314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.787314 (E_RNA) where: Base-Base interactions energy: -1603.630 where: short stacking energy: -703.341 Base-Backbone interact. energy: 1.501 local terms energy: -704.658000 where: bonds (distance) C4'-P energy: -116.327 bonds (distance) P-C4' energy: -131.473 flat angles C4'-P-C4' energy: -154.773 flat angles P-C4'-P energy: -102.038 tors. eta vs tors. theta energy: -200.048 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: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2137.780267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.780267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.780267 (E_RNA) where: Base-Base interactions energy: -1486.590 where: short stacking energy: -621.823 Base-Backbone interact. energy: 0.327 local terms energy: -651.518037 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -140.286 flat angles P-C4'-P energy: -99.507 tors. eta vs tors. theta energy: -147.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1918.578697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.578697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.578697 (E_RNA) where: Base-Base interactions energy: -1340.832 where: short stacking energy: -594.069 Base-Backbone interact. energy: 0.018 local terms energy: -577.764839 where: bonds (distance) C4'-P energy: -112.329 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -139.275 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -134.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1792.412707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.412707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.412707 (E_RNA) where: Base-Base interactions energy: -1215.226 where: short stacking energy: -525.834 Base-Backbone interact. energy: -3.452 local terms energy: -573.734427 where: bonds (distance) C4'-P energy: -120.135 bonds (distance) P-C4' energy: -127.340 flat angles C4'-P-C4' energy: -137.034 flat angles P-C4'-P energy: -75.970 tors. eta vs tors. theta energy: -113.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1672.313706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.313706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.313706 (E_RNA) where: Base-Base interactions energy: -1099.286 where: short stacking energy: -533.324 Base-Backbone interact. energy: 3.850 local terms energy: -576.877371 where: bonds (distance) C4'-P energy: -124.613 bonds (distance) P-C4' energy: -131.733 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -133.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1548.136237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.136237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.136237 (E_RNA) where: Base-Base interactions energy: -1047.005 where: short stacking energy: -473.939 Base-Backbone interact. energy: 3.352 local terms energy: -504.483340 where: bonds (distance) C4'-P energy: -115.880 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -57.445 tors. eta vs tors. theta energy: -100.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1416.658646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.658646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.658646 (E_RNA) where: Base-Base interactions energy: -908.610 where: short stacking energy: -409.636 Base-Backbone interact. energy: -0.157 local terms energy: -507.891764 where: bonds (distance) C4'-P energy: -103.947 bonds (distance) P-C4' energy: -128.591 flat angles C4'-P-C4' energy: -123.065 flat angles P-C4'-P energy: -65.570 tors. eta vs tors. theta energy: -86.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1008.157304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.157304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.157304 (E_RNA) where: Base-Base interactions energy: -606.904 where: short stacking energy: -325.712 Base-Backbone interact. energy: 0.624 local terms energy: -401.877746 where: bonds (distance) C4'-P energy: -97.182 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -97.887 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -39.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -819.393448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.393448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.393448 (E_RNA) where: Base-Base interactions energy: -446.006 where: short stacking energy: -220.877 Base-Backbone interact. energy: -0.765 local terms energy: -372.622980 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -110.772 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -55.196 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: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2354.828991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.828991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.828991 (E_RNA) where: Base-Base interactions energy: -1613.539 where: short stacking energy: -733.382 Base-Backbone interact. energy: -4.999 local terms energy: -736.291122 where: bonds (distance) C4'-P energy: -147.384 bonds (distance) P-C4' energy: -124.644 flat angles C4'-P-C4' energy: -159.207 flat angles P-C4'-P energy: -113.164 tors. eta vs tors. theta energy: -191.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2300.827752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.827752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.827752 (E_RNA) where: Base-Base interactions energy: -1610.444 where: short stacking energy: -722.560 Base-Backbone interact. energy: -0.331 local terms energy: -690.053148 where: bonds (distance) C4'-P energy: -105.960 bonds (distance) P-C4' energy: -144.448 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -101.868 tors. eta vs tors. theta energy: -194.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2121.617817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.617817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.617817 (E_RNA) where: Base-Base interactions energy: -1486.399 where: short stacking energy: -622.407 Base-Backbone interact. energy: -2.377 local terms energy: -632.841367 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -136.198 flat angles C4'-P-C4' energy: -138.972 flat angles P-C4'-P energy: -91.794 tors. eta vs tors. theta energy: -147.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1851.716910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.716910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.716910 (E_RNA) where: Base-Base interactions energy: -1257.032 where: short stacking energy: -521.859 Base-Backbone interact. energy: -4.481 local terms energy: -590.203984 where: bonds (distance) C4'-P energy: -122.598 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -133.675 flat angles P-C4'-P energy: -81.936 tors. eta vs tors. theta energy: -119.999 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: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1793.432438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.432438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.432438 (E_RNA) where: Base-Base interactions energy: -1215.478 where: short stacking energy: -526.651 Base-Backbone interact. energy: -5.191 local terms energy: -572.763472 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -128.528 flat angles P-C4'-P energy: -78.790 tors. eta vs tors. theta energy: -129.294 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: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1686.664788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.664788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.664788 (E_RNA) where: Base-Base interactions energy: -1107.756 where: short stacking energy: -488.286 Base-Backbone interact. energy: 0.165 local terms energy: -579.073755 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -120.681 flat angles C4'-P-C4' energy: -135.266 flat angles P-C4'-P energy: -82.576 tors. eta vs tors. theta energy: -118.139 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: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1530.740307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.740307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.740307 (E_RNA) where: Base-Base interactions energy: -1055.470 where: short stacking energy: -456.064 Base-Backbone interact. energy: 3.710 local terms energy: -478.980401 where: bonds (distance) C4'-P energy: -92.962 bonds (distance) P-C4' energy: -108.029 flat angles C4'-P-C4' energy: -120.247 flat angles P-C4'-P energy: -70.886 tors. eta vs tors. theta energy: -86.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1424.703080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.703080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.703080 (E_RNA) where: Base-Base interactions energy: -941.678 where: short stacking energy: -405.685 Base-Backbone interact. energy: 0.278 local terms energy: -483.302568 where: bonds (distance) C4'-P energy: -116.470 bonds (distance) P-C4' energy: -105.614 flat angles C4'-P-C4' energy: -127.600 flat angles P-C4'-P energy: -70.418 tors. eta vs tors. theta energy: -63.200 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: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1031.843011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.843011 (E_RNA) where: Base-Base interactions energy: -609.147 where: short stacking energy: -312.252 Base-Backbone interact. energy: -0.455 local terms energy: -422.241277 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -119.011 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -44.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -707.477278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.477278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.477278 (E_RNA) where: Base-Base interactions energy: -329.690 where: short stacking energy: -199.798 Base-Backbone interact. energy: -0.689 local terms energy: -377.098073 where: bonds (distance) C4'-P energy: -108.570 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -78.604 flat angles P-C4'-P energy: -68.030 tors. eta vs tors. theta energy: 7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2369.252104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.252104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.252104 (E_RNA) where: Base-Base interactions energy: -1644.169 where: short stacking energy: -725.518 Base-Backbone interact. energy: -4.095 local terms energy: -721.456758 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -137.417 flat angles C4'-P-C4' energy: -158.707 flat angles P-C4'-P energy: -94.921 tors. eta vs tors. theta energy: -194.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.468 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2308.031536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.031536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.031536 (E_RNA) where: Base-Base interactions energy: -1597.895 where: short stacking energy: -732.648 Base-Backbone interact. energy: 2.845 local terms energy: -712.981321 where: bonds (distance) C4'-P energy: -136.767 bonds (distance) P-C4' energy: -131.795 flat angles C4'-P-C4' energy: -144.836 flat angles P-C4'-P energy: -98.190 tors. eta vs tors. theta energy: -201.393 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2148.837811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.837811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.837811 (E_RNA) where: Base-Base interactions energy: -1497.467 where: short stacking energy: -630.801 Base-Backbone interact. energy: -1.598 local terms energy: -649.773296 where: bonds (distance) C4'-P energy: -132.870 bonds (distance) P-C4' energy: -130.712 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -94.714 tors. eta vs tors. theta energy: -151.676 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: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1882.520383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.520383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.520383 (E_RNA) where: Base-Base interactions energy: -1295.086 where: short stacking energy: -556.532 Base-Backbone interact. energy: -5.146 local terms energy: -582.288739 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -128.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1803.024068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.024068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.024068 (E_RNA) where: Base-Base interactions energy: -1197.951 where: short stacking energy: -543.732 Base-Backbone interact. energy: 0.319 local terms energy: -605.391870 where: bonds (distance) C4'-P energy: -120.267 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -124.308 flat angles P-C4'-P energy: -90.379 tors. eta vs tors. theta energy: -142.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1751.829945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.829945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.829945 (E_RNA) where: Base-Base interactions energy: -1167.546 where: short stacking energy: -528.259 Base-Backbone interact. energy: -2.965 local terms energy: -581.318760 where: bonds (distance) C4'-P energy: -111.066 bonds (distance) P-C4' energy: -124.619 flat angles C4'-P-C4' energy: -130.164 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -136.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1471.570215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.570215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.570215 (E_RNA) where: Base-Base interactions energy: -968.824 where: short stacking energy: -447.458 Base-Backbone interact. energy: -0.394 local terms energy: -502.352705 where: bonds (distance) C4'-P energy: -116.391 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -107.667 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: -93.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1397.754402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.754402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.754402 (E_RNA) where: Base-Base interactions energy: -906.727 where: short stacking energy: -386.517 Base-Backbone interact. energy: -2.117 local terms energy: -488.910038 where: bonds (distance) C4'-P energy: -121.376 bonds (distance) P-C4' energy: -108.382 flat angles C4'-P-C4' energy: -113.476 flat angles P-C4'-P energy: -83.717 tors. eta vs tors. theta energy: -61.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1136.400336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.400336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.400336 (E_RNA) where: Base-Base interactions energy: -722.848 where: short stacking energy: -355.267 Base-Backbone interact. energy: 6.614 local terms energy: -420.166815 where: bonds (distance) C4'-P energy: -93.528 bonds (distance) P-C4' energy: -107.130 flat angles C4'-P-C4' energy: -99.268 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: -45.711 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: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -727.769142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.769142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.769142 (E_RNA) where: Base-Base interactions energy: -360.667 where: short stacking energy: -225.580 Base-Backbone interact. energy: 1.569 local terms energy: -368.671879 where: bonds (distance) C4'-P energy: -101.203 bonds (distance) P-C4' energy: -116.516 flat angles C4'-P-C4' energy: -105.297 flat angles P-C4'-P energy: -58.638 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: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2349.168154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.168154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.168154 (E_RNA) where: Base-Base interactions energy: -1616.420 where: short stacking energy: -697.669 Base-Backbone interact. energy: -0.438 local terms energy: -732.310942 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -144.274 flat angles C4'-P-C4' energy: -156.777 flat angles P-C4'-P energy: -110.940 tors. eta vs tors. theta energy: -186.663 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: 63 Temperature: 0.950000 Total energy: -2296.194439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.194439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.194439 (E_RNA) where: Base-Base interactions energy: -1581.527 where: short stacking energy: -681.051 Base-Backbone interact. energy: -2.667 local terms energy: -712.000168 where: bonds (distance) C4'-P energy: -143.200 bonds (distance) P-C4' energy: -129.529 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -200.839 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: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2170.253385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.253385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.253385 (E_RNA) where: Base-Base interactions energy: -1515.175 where: short stacking energy: -624.140 Base-Backbone interact. energy: -1.567 local terms energy: -653.511923 where: bonds (distance) C4'-P energy: -124.235 bonds (distance) P-C4' energy: -138.191 flat angles C4'-P-C4' energy: -141.548 flat angles P-C4'-P energy: -81.388 tors. eta vs tors. theta energy: -168.150 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: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1945.166497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.166497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.166497 (E_RNA) where: Base-Base interactions energy: -1344.573 where: short stacking energy: -544.778 Base-Backbone interact. energy: -3.800 local terms energy: -596.793587 where: bonds (distance) C4'-P energy: -113.390 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -145.813 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -125.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1856.601276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.601276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.601276 (E_RNA) where: Base-Base interactions energy: -1250.532 where: short stacking energy: -557.273 Base-Backbone interact. energy: -2.873 local terms energy: -603.196628 where: bonds (distance) C4'-P energy: -121.812 bonds (distance) P-C4' energy: -109.570 flat angles C4'-P-C4' energy: -142.200 flat angles P-C4'-P energy: -84.218 tors. eta vs tors. theta energy: -145.397 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: 63 Temperature: 1.150000 Total energy: -1775.558771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.558771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.558771 (E_RNA) where: Base-Base interactions energy: -1222.100 where: short stacking energy: -519.076 Base-Backbone interact. energy: -0.514 local terms energy: -552.943874 where: bonds (distance) C4'-P energy: -128.868 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -126.782 flat angles P-C4'-P energy: -83.321 tors. eta vs tors. theta energy: -104.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1529.365168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.365168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.365168 (E_RNA) where: Base-Base interactions energy: -1003.921 where: short stacking energy: -419.603 Base-Backbone interact. energy: -0.863 local terms energy: -524.581190 where: bonds (distance) C4'-P energy: -133.883 bonds (distance) P-C4' energy: -119.012 flat angles C4'-P-C4' energy: -121.941 flat angles P-C4'-P energy: -84.986 tors. eta vs tors. theta energy: -64.760 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1457.188736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.188736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.188736 (E_RNA) where: Base-Base interactions energy: -961.829 where: short stacking energy: -433.976 Base-Backbone interact. energy: 1.620 local terms energy: -496.980308 where: bonds (distance) C4'-P energy: -106.840 bonds (distance) P-C4' energy: -124.757 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -72.786 tors. eta vs tors. theta energy: -94.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1214.941373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.941373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.941373 (E_RNA) where: Base-Base interactions energy: -767.505 where: short stacking energy: -373.442 Base-Backbone interact. energy: 1.509 local terms energy: -448.945659 where: bonds (distance) C4'-P energy: -112.600 bonds (distance) P-C4' energy: -94.484 flat angles C4'-P-C4' energy: -117.400 flat angles P-C4'-P energy: -65.995 tors. eta vs tors. theta energy: -58.466 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: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -814.586018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.586018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.586018 (E_RNA) where: Base-Base interactions energy: -446.705 where: short stacking energy: -248.570 Base-Backbone interact. energy: -1.265 local terms energy: -366.616032 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -93.490 flat angles C4'-P-C4' energy: -96.426 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2360.618850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.618850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.618850 (E_RNA) where: Base-Base interactions energy: -1636.666 where: short stacking energy: -678.931 Base-Backbone interact. energy: -4.443 local terms energy: -719.510496 where: bonds (distance) C4'-P energy: -135.107 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -158.707 flat angles P-C4'-P energy: -103.791 tors. eta vs tors. theta energy: -196.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2280.346990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.346990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.346990 (E_RNA) where: Base-Base interactions energy: -1541.848 where: short stacking energy: -673.821 Base-Backbone interact. energy: -2.835 local terms energy: -735.664012 where: bonds (distance) C4'-P energy: -129.282 bonds (distance) P-C4' energy: -140.715 flat angles C4'-P-C4' energy: -159.704 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -196.035 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: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2167.167222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.167222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.167222 (E_RNA) where: Base-Base interactions energy: -1534.318 where: short stacking energy: -618.142 Base-Backbone interact. energy: -1.865 local terms energy: -630.984232 where: bonds (distance) C4'-P energy: -128.114 bonds (distance) P-C4' energy: -128.611 flat angles C4'-P-C4' energy: -131.958 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -160.180 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: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1966.862490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.862490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.862490 (E_RNA) where: Base-Base interactions energy: -1372.422 where: short stacking energy: -551.326 Base-Backbone interact. energy: -2.909 local terms energy: -591.531242 where: bonds (distance) C4'-P energy: -111.761 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -85.722 tors. eta vs tors. theta energy: -124.309 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: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1838.205782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.205782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.205782 (E_RNA) where: Base-Base interactions energy: -1224.972 where: short stacking energy: -544.092 Base-Backbone interact. energy: -0.107 local terms energy: -613.126625 where: bonds (distance) C4'-P energy: -117.916 bonds (distance) P-C4' energy: -128.254 flat angles C4'-P-C4' energy: -131.649 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -142.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1834.657288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.657288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.657288 (E_RNA) where: Base-Base interactions energy: -1227.854 where: short stacking energy: -518.665 Base-Backbone interact. energy: -6.226 local terms energy: -600.577072 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -121.033 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -82.651 tors. eta vs tors. theta energy: -128.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1559.104027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.104027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.104027 (E_RNA) where: Base-Base interactions energy: -1059.934 where: short stacking energy: -450.165 Base-Backbone interact. energy: -0.094 local terms energy: -499.076241 where: bonds (distance) C4'-P energy: -97.002 bonds (distance) P-C4' energy: -95.053 flat angles C4'-P-C4' energy: -126.565 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -90.109 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1444.310734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.310734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.310734 (E_RNA) where: Base-Base interactions energy: -959.002 where: short stacking energy: -406.509 Base-Backbone interact. energy: 0.526 local terms energy: -485.834469 where: bonds (distance) C4'-P energy: -117.909 bonds (distance) P-C4' energy: -109.027 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -87.557 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1135.145983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.145983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.145983 (E_RNA) where: Base-Base interactions energy: -689.437 where: short stacking energy: -349.271 Base-Backbone interact. energy: 3.317 local terms energy: -449.025879 where: bonds (distance) C4'-P energy: -118.156 bonds (distance) P-C4' energy: -118.335 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -65.784 tors. eta vs tors. theta energy: -40.729 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: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -810.151053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.151053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.151053 (E_RNA) where: Base-Base interactions energy: -444.698 where: short stacking energy: -257.847 Base-Backbone interact. energy: 1.065 local terms energy: -366.518072 where: bonds (distance) C4'-P energy: -106.796 bonds (distance) P-C4' energy: -113.203 flat angles C4'-P-C4' energy: -73.233 flat angles P-C4'-P energy: -66.207 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2343.629018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.629018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.629018 (E_RNA) where: Base-Base interactions energy: -1600.832 where: short stacking energy: -684.710 Base-Backbone interact. energy: -3.135 local terms energy: -739.662352 where: bonds (distance) C4'-P energy: -149.164 bonds (distance) P-C4' energy: -142.024 flat angles C4'-P-C4' energy: -150.779 flat angles P-C4'-P energy: -113.317 tors. eta vs tors. theta energy: -184.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2300.326876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.326876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.326876 (E_RNA) where: Base-Base interactions energy: -1569.336 where: short stacking energy: -710.981 Base-Backbone interact. energy: -2.901 local terms energy: -728.089853 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -136.075 flat angles C4'-P-C4' energy: -140.712 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -202.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2127.965497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.965497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.965497 (E_RNA) where: Base-Base interactions energy: -1451.151 where: short stacking energy: -616.875 Base-Backbone interact. energy: -3.628 local terms energy: -673.186190 where: bonds (distance) C4'-P energy: -126.030 bonds (distance) P-C4' energy: -142.969 flat angles C4'-P-C4' energy: -138.980 flat angles P-C4'-P energy: -99.662 tors. eta vs tors. theta energy: -165.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1920.557898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.557898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.557898 (E_RNA) where: Base-Base interactions energy: -1307.521 where: short stacking energy: -577.955 Base-Backbone interact. energy: 1.994 local terms energy: -615.031579 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -133.540 flat angles C4'-P-C4' energy: -140.259 flat angles P-C4'-P energy: -81.147 tors. eta vs tors. theta energy: -137.428 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: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1845.170043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.170043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.170043 (E_RNA) where: Base-Base interactions energy: -1226.167 where: short stacking energy: -536.970 Base-Backbone interact. energy: -1.693 local terms energy: -617.310186 where: bonds (distance) C4'-P energy: -134.710 bonds (distance) P-C4' energy: -123.597 flat angles C4'-P-C4' energy: -141.407 flat angles P-C4'-P energy: -75.080 tors. eta vs tors. theta energy: -142.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1831.413155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.413155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.413155 (E_RNA) where: Base-Base interactions energy: -1271.745 where: short stacking energy: -574.515 Base-Backbone interact. energy: -3.195 local terms energy: -556.473528 where: bonds (distance) C4'-P energy: -116.146 bonds (distance) P-C4' energy: -116.288 flat angles C4'-P-C4' energy: -115.500 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -145.232 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1570.545160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.545160 (E_RNA) where: Base-Base interactions energy: -1069.465 where: short stacking energy: -463.401 Base-Backbone interact. energy: -0.810 local terms energy: -500.270597 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -121.805 flat angles C4'-P-C4' energy: -119.166 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -81.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1411.871111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.871111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.871111 (E_RNA) where: Base-Base interactions energy: -923.268 where: short stacking energy: -420.724 Base-Backbone interact. energy: 0.981 local terms energy: -489.584625 where: bonds (distance) C4'-P energy: -119.499 bonds (distance) P-C4' energy: -116.862 flat angles C4'-P-C4' energy: -112.868 flat angles P-C4'-P energy: -66.733 tors. eta vs tors. theta energy: -73.624 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: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1126.496677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.496677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.496677 (E_RNA) where: Base-Base interactions energy: -671.448 where: short stacking energy: -321.215 Base-Backbone interact. energy: 1.167 local terms energy: -456.215511 where: bonds (distance) C4'-P energy: -130.022 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -92.872 flat angles P-C4'-P energy: -61.203 tors. eta vs tors. theta energy: -46.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -978.324077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.324077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.324077 (E_RNA) where: Base-Base interactions energy: -546.171 where: short stacking energy: -277.746 Base-Backbone interact. energy: -2.976 local terms energy: -429.176255 where: bonds (distance) C4'-P energy: -111.066 bonds (distance) P-C4' energy: -118.902 flat angles C4'-P-C4' energy: -80.574 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -43.544 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: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2375.833831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.833831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.833831 (E_RNA) where: Base-Base interactions energy: -1620.425 where: short stacking energy: -736.068 Base-Backbone interact. energy: -3.319 local terms energy: -752.090686 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -144.168 flat angles C4'-P-C4' energy: -160.191 flat angles P-C4'-P energy: -114.694 tors. eta vs tors. theta energy: -197.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2302.610721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.610721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.610721 (E_RNA) where: Base-Base interactions energy: -1600.059 where: short stacking energy: -694.717 Base-Backbone interact. energy: -0.505 local terms energy: -702.047370 where: bonds (distance) C4'-P energy: -116.339 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -164.355 flat angles P-C4'-P energy: -109.207 tors. eta vs tors. theta energy: -183.523 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: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2144.636714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.636714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.636714 (E_RNA) where: Base-Base interactions energy: -1483.969 where: short stacking energy: -628.130 Base-Backbone interact. energy: -1.657 local terms energy: -659.010623 where: bonds (distance) C4'-P energy: -130.977 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -142.464 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -150.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1923.669910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.669910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.669910 (E_RNA) where: Base-Base interactions energy: -1306.059 where: short stacking energy: -568.495 Base-Backbone interact. energy: -1.139 local terms energy: -616.471542 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -138.318 flat angles P-C4'-P energy: -93.201 tors. eta vs tors. theta energy: -124.637 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: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1903.021941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.021941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.021941 (E_RNA) where: Base-Base interactions energy: -1294.809 where: short stacking energy: -547.716 Base-Backbone interact. energy: -5.624 local terms energy: -602.589180 where: bonds (distance) C4'-P energy: -118.204 bonds (distance) P-C4' energy: -131.157 flat angles C4'-P-C4' energy: -137.450 flat angles P-C4'-P energy: -80.004 tors. eta vs tors. theta energy: -135.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1776.188330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.188330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.188330 (E_RNA) where: Base-Base interactions energy: -1192.620 where: short stacking energy: -522.352 Base-Backbone interact. energy: 0.309 local terms energy: -583.877350 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -117.941 flat angles C4'-P-C4' energy: -136.709 flat angles P-C4'-P energy: -93.292 tors. eta vs tors. theta energy: -122.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1572.379412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.379412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.379412 (E_RNA) where: Base-Base interactions energy: -1054.051 where: short stacking energy: -463.374 Base-Backbone interact. energy: 3.221 local terms energy: -521.549006 where: bonds (distance) C4'-P energy: -111.744 bonds (distance) P-C4' energy: -128.334 flat angles C4'-P-C4' energy: -98.175 flat angles P-C4'-P energy: -88.489 tors. eta vs tors. theta energy: -94.806 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: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1460.422832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.422832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.422832 (E_RNA) where: Base-Base interactions energy: -957.710 where: short stacking energy: -440.590 Base-Backbone interact. energy: -2.864 local terms energy: -499.848898 where: bonds (distance) C4'-P energy: -111.996 bonds (distance) P-C4' energy: -111.278 flat angles C4'-P-C4' energy: -119.380 flat angles P-C4'-P energy: -75.134 tors. eta vs tors. theta energy: -82.060 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: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1103.379466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.379466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.379466 (E_RNA) where: Base-Base interactions energy: -734.573 where: short stacking energy: -346.483 Base-Backbone interact. energy: -0.797 local terms energy: -368.009561 where: bonds (distance) C4'-P energy: -93.058 bonds (distance) P-C4' energy: -97.194 flat angles C4'-P-C4' energy: -80.002 flat angles P-C4'-P energy: -62.124 tors. eta vs tors. theta energy: -35.631 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: 66 Temperature: 1.350000 Total energy: -1047.733861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.733861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.733861 (E_RNA) where: Base-Base interactions energy: -620.283 where: short stacking energy: -330.847 Base-Backbone interact. energy: -1.669 local terms energy: -425.782442 where: bonds (distance) C4'-P energy: -87.323 bonds (distance) P-C4' energy: -108.902 flat angles C4'-P-C4' energy: -108.427 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -58.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2351.941662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.941662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.941662 (E_RNA) where: Base-Base interactions energy: -1603.177 where: short stacking energy: -720.518 Base-Backbone interact. energy: -7.857 local terms energy: -740.907827 where: bonds (distance) C4'-P energy: -116.354 bonds (distance) P-C4' energy: -148.036 flat angles C4'-P-C4' energy: -162.320 flat angles P-C4'-P energy: -114.179 tors. eta vs tors. theta energy: -200.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2291.462624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.462624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.462624 (E_RNA) where: Base-Base interactions energy: -1583.930 where: short stacking energy: -704.731 Base-Backbone interact. energy: -1.829 local terms energy: -705.703869 where: bonds (distance) C4'-P energy: -141.233 bonds (distance) P-C4' energy: -135.593 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -82.710 tors. eta vs tors. theta energy: -191.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2123.740879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.740879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.740879 (E_RNA) where: Base-Base interactions energy: -1449.221 where: short stacking energy: -616.373 Base-Backbone interact. energy: -1.571 local terms energy: -672.948393 where: bonds (distance) C4'-P energy: -137.266 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -151.880 flat angles P-C4'-P energy: -93.834 tors. eta vs tors. theta energy: -154.238 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: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1937.555877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.555877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.555877 (E_RNA) where: Base-Base interactions energy: -1346.072 where: short stacking energy: -573.944 Base-Backbone interact. energy: 0.170 local terms energy: -591.654281 where: bonds (distance) C4'-P energy: -129.532 bonds (distance) P-C4' energy: -120.324 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -121.619 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1908.307130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.307130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.307130 (E_RNA) where: Base-Base interactions energy: -1340.519 where: short stacking energy: -565.567 Base-Backbone interact. energy: -3.421 local terms energy: -564.366678 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -103.433 flat angles C4'-P-C4' energy: -127.908 flat angles P-C4'-P energy: -86.810 tors. eta vs tors. theta energy: -133.612 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: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1797.793300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.793300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.793300 (E_RNA) where: Base-Base interactions energy: -1242.914 where: short stacking energy: -534.988 Base-Backbone interact. energy: 4.855 local terms energy: -559.734492 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -132.850 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -83.687 tors. eta vs tors. theta energy: -111.992 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1550.321333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.321333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.321333 (E_RNA) where: Base-Base interactions energy: -1017.741 where: short stacking energy: -467.556 Base-Backbone interact. energy: 2.353 local terms energy: -534.932803 where: bonds (distance) C4'-P energy: -125.111 bonds (distance) P-C4' energy: -111.739 flat angles C4'-P-C4' energy: -106.899 flat angles P-C4'-P energy: -76.337 tors. eta vs tors. theta energy: -114.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1387.725979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.725979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.725979 (E_RNA) where: Base-Base interactions energy: -902.081 where: short stacking energy: -430.189 Base-Backbone interact. energy: -2.306 local terms energy: -483.338520 where: bonds (distance) C4'-P energy: -94.372 bonds (distance) P-C4' energy: -112.232 flat angles C4'-P-C4' energy: -121.344 flat angles P-C4'-P energy: -66.663 tors. eta vs tors. theta energy: -88.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1111.774423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.774423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.774423 (E_RNA) where: Base-Base interactions energy: -673.724 where: short stacking energy: -322.769 Base-Backbone interact. energy: -1.877 local terms energy: -436.172615 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -110.157 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -35.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1015.257192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.257192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.257192 (E_RNA) where: Base-Base interactions energy: -576.756 where: short stacking energy: -295.145 Base-Backbone interact. energy: -3.900 local terms energy: -434.601221 where: bonds (distance) C4'-P energy: -97.950 bonds (distance) P-C4' energy: -122.936 flat angles C4'-P-C4' energy: -116.149 flat angles P-C4'-P energy: -63.587 tors. eta vs tors. theta energy: -33.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2368.317848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.317848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.317848 (E_RNA) where: Base-Base interactions energy: -1618.619 where: short stacking energy: -696.414 Base-Backbone interact. energy: -3.708 local terms energy: -745.991062 where: bonds (distance) C4'-P energy: -139.895 bonds (distance) P-C4' energy: -147.827 flat angles C4'-P-C4' energy: -160.675 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -189.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2292.339258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.339258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.339258 (E_RNA) where: Base-Base interactions energy: -1592.536 where: short stacking energy: -690.320 Base-Backbone interact. energy: -3.313 local terms energy: -696.491024 where: bonds (distance) C4'-P energy: -132.196 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -136.598 flat angles P-C4'-P energy: -100.196 tors. eta vs tors. theta energy: -194.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2100.377713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.377713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.377713 (E_RNA) where: Base-Base interactions energy: -1459.506 where: short stacking energy: -593.503 Base-Backbone interact. energy: -0.152 local terms energy: -640.719711 where: bonds (distance) C4'-P energy: -119.294 bonds (distance) P-C4' energy: -129.253 flat angles C4'-P-C4' energy: -154.135 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -149.536 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: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1951.292511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.292511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.292511 (E_RNA) where: Base-Base interactions energy: -1360.935 where: short stacking energy: -573.368 Base-Backbone interact. energy: -2.673 local terms energy: -587.684923 where: bonds (distance) C4'-P energy: -121.011 bonds (distance) P-C4' energy: -115.412 flat angles C4'-P-C4' energy: -144.735 flat angles P-C4'-P energy: -82.708 tors. eta vs tors. theta energy: -123.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1873.926249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.926249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.926249 (E_RNA) where: Base-Base interactions energy: -1246.011 where: short stacking energy: -554.012 Base-Backbone interact. energy: -2.935 local terms energy: -624.980301 where: bonds (distance) C4'-P energy: -126.626 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -150.453 flat angles P-C4'-P energy: -79.862 tors. eta vs tors. theta energy: -133.086 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: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1817.856001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.856001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.856001 (E_RNA) where: Base-Base interactions energy: -1234.125 where: short stacking energy: -531.359 Base-Backbone interact. energy: -4.783 local terms energy: -578.947721 where: bonds (distance) C4'-P energy: -118.240 bonds (distance) P-C4' energy: -123.755 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -88.096 tors. eta vs tors. theta energy: -115.302 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: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1664.250806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.250806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.250806 (E_RNA) where: Base-Base interactions energy: -1124.556 where: short stacking energy: -487.144 Base-Backbone interact. energy: 2.089 local terms energy: -541.783527 where: bonds (distance) C4'-P energy: -128.424 bonds (distance) P-C4' energy: -111.346 flat angles C4'-P-C4' energy: -129.170 flat angles P-C4'-P energy: -75.566 tors. eta vs tors. theta energy: -97.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1410.141615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.141615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.141615 (E_RNA) where: Base-Base interactions energy: -922.807 where: short stacking energy: -442.776 Base-Backbone interact. energy: 2.257 local terms energy: -489.591590 where: bonds (distance) C4'-P energy: -99.181 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -109.165 flat angles P-C4'-P energy: -86.840 tors. eta vs tors. theta energy: -89.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1090.301758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.301758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.301758 (E_RNA) where: Base-Base interactions energy: -667.862 where: short stacking energy: -298.587 Base-Backbone interact. energy: -3.206 local terms energy: -419.234083 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -113.612 flat angles C4'-P-C4' energy: -116.134 flat angles P-C4'-P energy: -66.652 tors. eta vs tors. theta energy: -24.744 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: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1008.678908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.678908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.678908 (E_RNA) where: Base-Base interactions energy: -597.890 where: short stacking energy: -307.660 Base-Backbone interact. energy: -2.139 local terms energy: -408.649893 where: bonds (distance) C4'-P energy: -124.794 bonds (distance) P-C4' energy: -104.893 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -53.697 tors. eta vs tors. theta energy: -25.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2344.721583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.721583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.721583 (E_RNA) where: Base-Base interactions energy: -1604.032 where: short stacking energy: -739.636 Base-Backbone interact. energy: -6.781 local terms energy: -733.908724 where: bonds (distance) C4'-P energy: -140.559 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -152.018 flat angles P-C4'-P energy: -100.402 tors. eta vs tors. theta energy: -198.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2331.185291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.185291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.185291 (E_RNA) where: Base-Base interactions energy: -1605.229 where: short stacking energy: -737.805 Base-Backbone interact. energy: -2.594 local terms energy: -723.362125 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -133.313 flat angles C4'-P-C4' energy: -142.148 flat angles P-C4'-P energy: -111.907 tors. eta vs tors. theta energy: -195.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2132.666087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.666087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.666087 (E_RNA) where: Base-Base interactions energy: -1492.551 where: short stacking energy: -607.090 Base-Backbone interact. energy: 0.626 local terms energy: -640.741211 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -132.674 flat angles C4'-P-C4' energy: -130.108 flat angles P-C4'-P energy: -95.584 tors. eta vs tors. theta energy: -153.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1999.266524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.266524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.266524 (E_RNA) where: Base-Base interactions energy: -1397.001 where: short stacking energy: -560.357 Base-Backbone interact. energy: -4.596 local terms energy: -597.669704 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -121.721 flat angles C4'-P-C4' energy: -151.268 flat angles P-C4'-P energy: -86.389 tors. eta vs tors. theta energy: -119.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1920.799072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.799072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.799072 (E_RNA) where: Base-Base interactions energy: -1313.203 where: short stacking energy: -571.744 Base-Backbone interact. energy: -0.949 local terms energy: -606.648031 where: bonds (distance) C4'-P energy: -114.064 bonds (distance) P-C4' energy: -117.097 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -89.430 tors. eta vs tors. theta energy: -145.722 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1782.991855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.991855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.991855 (E_RNA) where: Base-Base interactions energy: -1218.127 where: short stacking energy: -537.590 Base-Backbone interact. energy: 0.966 local terms energy: -565.830796 where: bonds (distance) C4'-P energy: -122.481 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -104.031 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: -145.827 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: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1630.869258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.869258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.869258 (E_RNA) where: Base-Base interactions energy: -1101.810 where: short stacking energy: -466.771 Base-Backbone interact. energy: 5.082 local terms energy: -534.141390 where: bonds (distance) C4'-P energy: -104.109 bonds (distance) P-C4' energy: -140.538 flat angles C4'-P-C4' energy: -130.152 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -81.131 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: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1450.891445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.891445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.891445 (E_RNA) where: Base-Base interactions energy: -941.620 where: short stacking energy: -424.531 Base-Backbone interact. energy: -1.531 local terms energy: -507.740470 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -120.899 flat angles C4'-P-C4' energy: -126.504 flat angles P-C4'-P energy: -83.107 tors. eta vs tors. theta energy: -76.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1033.504914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.504914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.504914 (E_RNA) where: Base-Base interactions energy: -606.338 where: short stacking energy: -303.020 Base-Backbone interact. energy: 0.446 local terms energy: -427.613187 where: bonds (distance) C4'-P energy: -101.584 bonds (distance) P-C4' energy: -121.963 flat angles C4'-P-C4' energy: -99.991 flat angles P-C4'-P energy: -67.653 tors. eta vs tors. theta energy: -36.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -973.609235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.609235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.609235 (E_RNA) where: Base-Base interactions energy: -590.925 where: short stacking energy: -304.828 Base-Backbone interact. energy: 2.600 local terms energy: -385.285029 where: bonds (distance) C4'-P energy: -88.072 bonds (distance) P-C4' energy: -113.500 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -56.244 tors. eta vs tors. theta energy: -22.316 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: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2374.118398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.118398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.118398 (E_RNA) where: Base-Base interactions energy: -1648.844 where: short stacking energy: -729.855 Base-Backbone interact. energy: 0.641 local terms energy: -725.915019 where: bonds (distance) C4'-P energy: -139.973 bonds (distance) P-C4' energy: -136.080 flat angles C4'-P-C4' energy: -160.245 flat angles P-C4'-P energy: -97.212 tors. eta vs tors. theta energy: -192.405 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: 2, replica: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2285.253595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.253595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.253595 (E_RNA) where: Base-Base interactions energy: -1583.574 where: short stacking energy: -683.762 Base-Backbone interact. energy: -2.483 local terms energy: -699.196672 where: bonds (distance) C4'-P energy: -136.107 bonds (distance) P-C4' energy: -114.715 flat angles C4'-P-C4' energy: -162.766 flat angles P-C4'-P energy: -101.589 tors. eta vs tors. theta energy: -184.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2134.137919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.137919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.137919 (E_RNA) where: Base-Base interactions energy: -1475.817 where: short stacking energy: -630.966 Base-Backbone interact. energy: -3.365 local terms energy: -654.956045 where: bonds (distance) C4'-P energy: -123.681 bonds (distance) P-C4' energy: -131.361 flat angles C4'-P-C4' energy: -156.254 flat angles P-C4'-P energy: -87.082 tors. eta vs tors. theta energy: -156.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1975.327161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.327161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.327161 (E_RNA) where: Base-Base interactions energy: -1360.611 where: short stacking energy: -563.268 Base-Backbone interact. energy: 2.140 local terms energy: -616.856133 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -140.932 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -138.712 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: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1936.586300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.586300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.586300 (E_RNA) where: Base-Base interactions energy: -1303.947 where: short stacking energy: -580.394 Base-Backbone interact. energy: 0.674 local terms energy: -633.314209 where: bonds (distance) C4'-P energy: -116.510 bonds (distance) P-C4' energy: -127.047 flat angles C4'-P-C4' energy: -140.956 flat angles P-C4'-P energy: -84.620 tors. eta vs tors. theta energy: -164.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1776.287101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.287101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.287101 (E_RNA) where: Base-Base interactions energy: -1212.420 where: short stacking energy: -518.710 Base-Backbone interact. energy: -2.634 local terms energy: -561.232375 where: bonds (distance) C4'-P energy: -114.368 bonds (distance) P-C4' energy: -119.284 flat angles C4'-P-C4' energy: -124.094 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -129.602 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: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1606.683912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.683912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.683912 (E_RNA) where: Base-Base interactions energy: -1082.431 where: short stacking energy: -476.049 Base-Backbone interact. energy: -0.642 local terms energy: -523.611020 where: bonds (distance) C4'-P energy: -125.129 bonds (distance) P-C4' energy: -123.063 flat angles C4'-P-C4' energy: -107.750 flat angles P-C4'-P energy: -75.970 tors. eta vs tors. theta energy: -91.700 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: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1442.047640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.047640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.047640 (E_RNA) where: Base-Base interactions energy: -962.472 where: short stacking energy: -444.416 Base-Backbone interact. energy: -3.641 local terms energy: -475.934582 where: bonds (distance) C4'-P energy: -90.152 bonds (distance) P-C4' energy: -97.750 flat angles C4'-P-C4' energy: -124.158 flat angles P-C4'-P energy: -75.454 tors. eta vs tors. theta energy: -88.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1147.556857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.556857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.556857 (E_RNA) where: Base-Base interactions energy: -668.598 where: short stacking energy: -343.609 Base-Backbone interact. energy: 0.099 local terms energy: -479.057989 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -116.218 flat angles C4'-P-C4' energy: -117.233 flat angles P-C4'-P energy: -69.724 tors. eta vs tors. theta energy: -60.421 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: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1001.398461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.398461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.398461 (E_RNA) where: Base-Base interactions energy: -607.131 where: short stacking energy: -286.091 Base-Backbone interact. energy: 2.399 local terms energy: -396.666661 where: bonds (distance) C4'-P energy: -98.865 bonds (distance) P-C4' energy: -110.597 flat angles C4'-P-C4' energy: -92.247 flat angles P-C4'-P energy: -73.840 tors. eta vs tors. theta energy: -21.117 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: 71 Temperature: 0.900000 Total energy: -2420.714937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.714937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.714937 (E_RNA) where: Base-Base interactions energy: -1673.882 where: short stacking energy: -746.668 Base-Backbone interact. energy: -1.317 local terms energy: -745.515914 where: bonds (distance) C4'-P energy: -137.038 bonds (distance) P-C4' energy: -135.705 flat angles C4'-P-C4' energy: -160.518 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -204.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2287.937810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.937810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.937810 (E_RNA) where: Base-Base interactions energy: -1579.090 where: short stacking energy: -701.425 Base-Backbone interact. energy: -4.796 local terms energy: -704.052070 where: bonds (distance) C4'-P energy: -129.056 bonds (distance) P-C4' energy: -127.580 flat angles C4'-P-C4' energy: -156.628 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -185.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2104.905108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.905108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.905108 (E_RNA) where: Base-Base interactions energy: -1454.663 where: short stacking energy: -613.150 Base-Backbone interact. energy: -1.145 local terms energy: -649.096588 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -144.857 flat angles P-C4'-P energy: -90.458 tors. eta vs tors. theta energy: -161.384 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: 71 Temperature: 1.050000 Total energy: -2047.296926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.296926 (E_RNA) where: Base-Base interactions energy: -1404.383 where: short stacking energy: -599.915 Base-Backbone interact. energy: -2.689 local terms energy: -640.224115 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -117.401 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -95.797 tors. eta vs tors. theta energy: -163.228 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: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1927.508170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.508170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.508170 (E_RNA) where: Base-Base interactions energy: -1379.421 where: short stacking energy: -539.842 Base-Backbone interact. energy: 5.387 local terms energy: -553.473922 where: bonds (distance) C4'-P energy: -111.002 bonds (distance) P-C4' energy: -108.961 flat angles C4'-P-C4' energy: -124.487 flat angles P-C4'-P energy: -80.037 tors. eta vs tors. theta energy: -128.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1851.545460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.545460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.545460 (E_RNA) where: Base-Base interactions energy: -1267.440 where: short stacking energy: -562.811 Base-Backbone interact. energy: 1.305 local terms energy: -585.410962 where: bonds (distance) C4'-P energy: -113.325 bonds (distance) P-C4' energy: -115.774 flat angles C4'-P-C4' energy: -142.470 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -143.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1678.815147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.815147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.815147 (E_RNA) where: Base-Base interactions energy: -1182.584 where: short stacking energy: -481.458 Base-Backbone interact. energy: 10.983 local terms energy: -507.213779 where: bonds (distance) C4'-P energy: -107.049 bonds (distance) P-C4' energy: -110.602 flat angles C4'-P-C4' energy: -121.263 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: -109.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1470.422083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.422083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.422083 (E_RNA) where: Base-Base interactions energy: -932.942 where: short stacking energy: -404.181 Base-Backbone interact. energy: -3.357 local terms energy: -534.123766 where: bonds (distance) C4'-P energy: -122.471 bonds (distance) P-C4' energy: -126.587 flat angles C4'-P-C4' energy: -126.857 flat angles P-C4'-P energy: -91.175 tors. eta vs tors. theta energy: -67.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1071.668318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.668318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.668318 (E_RNA) where: Base-Base interactions energy: -638.487 where: short stacking energy: -336.703 Base-Backbone interact. energy: -1.004 local terms energy: -432.177365 where: bonds (distance) C4'-P energy: -98.981 bonds (distance) P-C4' energy: -131.645 flat angles C4'-P-C4' energy: -95.541 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -32.822 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: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1003.839884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.839884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.839884 (E_RNA) where: Base-Base interactions energy: -604.311 where: short stacking energy: -289.126 Base-Backbone interact. energy: -0.399 local terms energy: -399.129914 where: bonds (distance) C4'-P energy: -122.889 bonds (distance) P-C4' energy: -106.954 flat angles C4'-P-C4' energy: -91.418 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -26.414 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: 72 Temperature: 0.900000 Total energy: -2420.509126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.509126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.509126 (E_RNA) where: Base-Base interactions energy: -1686.984 where: short stacking energy: -725.909 Base-Backbone interact. energy: -4.376 local terms energy: -729.148833 where: bonds (distance) C4'-P energy: -128.150 bonds (distance) P-C4' energy: -135.620 flat angles C4'-P-C4' energy: -159.611 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -198.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2302.973123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.973123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.973123 (E_RNA) where: Base-Base interactions energy: -1581.430 where: short stacking energy: -715.747 Base-Backbone interact. energy: -4.719 local terms energy: -716.823482 where: bonds (distance) C4'-P energy: -127.681 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -145.911 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2078.914481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.914481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.914481 (E_RNA) where: Base-Base interactions energy: -1448.125 where: short stacking energy: -598.246 Base-Backbone interact. energy: 0.051 local terms energy: -630.840500 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -129.623 flat angles C4'-P-C4' energy: -140.705 flat angles P-C4'-P energy: -89.859 tors. eta vs tors. theta energy: -140.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2043.260627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.260627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.260627 (E_RNA) where: Base-Base interactions energy: -1410.906 where: short stacking energy: -598.848 Base-Backbone interact. energy: -1.155 local terms energy: -631.199639 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -140.175 flat angles C4'-P-C4' energy: -140.867 flat angles P-C4'-P energy: -93.521 tors. eta vs tors. theta energy: -157.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1880.240970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.240970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.240970 (E_RNA) where: Base-Base interactions energy: -1331.783 where: short stacking energy: -537.154 Base-Backbone interact. energy: 2.567 local terms energy: -551.024915 where: bonds (distance) C4'-P energy: -113.893 bonds (distance) P-C4' energy: -123.496 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -110.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1722.247347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.247347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.247347 (E_RNA) where: Base-Base interactions energy: -1160.684 where: short stacking energy: -527.932 Base-Backbone interact. energy: -5.185 local terms energy: -556.378257 where: bonds (distance) C4'-P energy: -117.516 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -137.879 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -133.152 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: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1750.218709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.218709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.218709 (E_RNA) where: Base-Base interactions energy: -1203.208 where: short stacking energy: -507.546 Base-Backbone interact. energy: -5.139 local terms energy: -541.871412 where: bonds (distance) C4'-P energy: -126.728 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -117.746 flat angles P-C4'-P energy: -77.400 tors. eta vs tors. theta energy: -104.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1496.681438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.681438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.681438 (E_RNA) where: Base-Base interactions energy: -985.221 where: short stacking energy: -433.985 Base-Backbone interact. energy: 0.366 local terms energy: -511.825784 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -122.754 flat angles C4'-P-C4' energy: -125.150 flat angles P-C4'-P energy: -70.097 tors. eta vs tors. theta energy: -74.519 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: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1065.313982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.313982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.313982 (E_RNA) where: Base-Base interactions energy: -630.059 where: short stacking energy: -323.353 Base-Backbone interact. energy: 4.651 local terms energy: -439.905192 where: bonds (distance) C4'-P energy: -107.652 bonds (distance) P-C4' energy: -130.466 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -62.154 tors. eta vs tors. theta energy: -55.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -998.271813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.271813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.271813 (E_RNA) where: Base-Base interactions energy: -575.645 where: short stacking energy: -281.518 Base-Backbone interact. energy: 2.634 local terms energy: -425.261063 where: bonds (distance) C4'-P energy: -106.475 bonds (distance) P-C4' energy: -111.532 flat angles C4'-P-C4' energy: -102.877 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -38.577 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: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2442.461256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.461256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.461256 (E_RNA) where: Base-Base interactions energy: -1686.374 where: short stacking energy: -752.467 Base-Backbone interact. energy: -3.597 local terms energy: -752.489679 where: bonds (distance) C4'-P energy: -134.860 bonds (distance) P-C4' energy: -145.780 flat angles C4'-P-C4' energy: -156.007 flat angles P-C4'-P energy: -106.106 tors. eta vs tors. theta energy: -209.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2287.773358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.773358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.773358 (E_RNA) where: Base-Base interactions energy: -1552.353 where: short stacking energy: -712.414 Base-Backbone interact. energy: -5.192 local terms energy: -730.228656 where: bonds (distance) C4'-P energy: -142.950 bonds (distance) P-C4' energy: -127.021 flat angles C4'-P-C4' energy: -154.754 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -194.990 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: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2105.559885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.559885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.559885 (E_RNA) where: Base-Base interactions energy: -1485.362 where: short stacking energy: -611.857 Base-Backbone interact. energy: -4.948 local terms energy: -615.249505 where: bonds (distance) C4'-P energy: -125.566 bonds (distance) P-C4' energy: -123.879 flat angles C4'-P-C4' energy: -136.056 flat angles P-C4'-P energy: -85.481 tors. eta vs tors. theta energy: -144.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2130.346451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.346451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.346451 (E_RNA) where: Base-Base interactions energy: -1476.377 where: short stacking energy: -652.805 Base-Backbone interact. energy: -3.879 local terms energy: -650.089678 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -127.316 flat angles C4'-P-C4' energy: -138.477 flat angles P-C4'-P energy: -95.672 tors. eta vs tors. theta energy: -171.325 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: 73 Temperature: 1.100000 Total energy: -1794.666908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.666908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.666908 (E_RNA) where: Base-Base interactions energy: -1231.630 where: short stacking energy: -492.608 Base-Backbone interact. energy: -2.432 local terms energy: -560.604009 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -131.954 flat angles C4'-P-C4' energy: -135.997 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -104.859 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1750.656304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.656304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.656304 (E_RNA) where: Base-Base interactions energy: -1214.870 where: short stacking energy: -510.452 Base-Backbone interact. energy: 6.816 local terms energy: -542.602563 where: bonds (distance) C4'-P energy: -116.340 bonds (distance) P-C4' energy: -100.551 flat angles C4'-P-C4' energy: -129.830 flat angles P-C4'-P energy: -70.392 tors. eta vs tors. theta energy: -125.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1649.006397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.006397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.006397 (E_RNA) where: Base-Base interactions energy: -1125.618 where: short stacking energy: -469.772 Base-Backbone interact. energy: -3.719 local terms energy: -519.669877 where: bonds (distance) C4'-P energy: -112.891 bonds (distance) P-C4' energy: -116.317 flat angles C4'-P-C4' energy: -114.776 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -95.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1472.809559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.809559 (E_RNA) where: Base-Base interactions energy: -987.749 where: short stacking energy: -419.013 Base-Backbone interact. energy: 0.577 local terms energy: -485.637387 where: bonds (distance) C4'-P energy: -115.003 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -133.235 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -79.941 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1154.451268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.451268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.451268 (E_RNA) where: Base-Base interactions energy: -741.783 where: short stacking energy: -366.542 Base-Backbone interact. energy: 2.841 local terms energy: -415.509042 where: bonds (distance) C4'-P energy: -101.199 bonds (distance) P-C4' energy: -117.779 flat angles C4'-P-C4' energy: -100.027 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -34.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -973.791801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.791801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.791801 (E_RNA) where: Base-Base interactions energy: -540.842 where: short stacking energy: -268.722 Base-Backbone interact. energy: 3.686 local terms energy: -436.636325 where: bonds (distance) C4'-P energy: -121.542 bonds (distance) P-C4' energy: -124.343 flat angles C4'-P-C4' energy: -82.930 flat angles P-C4'-P energy: -69.404 tors. eta vs tors. theta energy: -38.418 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: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2434.280075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.280075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.280075 (E_RNA) where: Base-Base interactions energy: -1693.401 where: short stacking energy: -740.941 Base-Backbone interact. energy: -4.350 local terms energy: -736.528832 where: bonds (distance) C4'-P energy: -125.947 bonds (distance) P-C4' energy: -141.500 flat angles C4'-P-C4' energy: -152.072 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -209.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2295.794252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.794252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.794252 (E_RNA) where: Base-Base interactions energy: -1574.974 where: short stacking energy: -710.041 Base-Backbone interact. energy: -3.969 local terms energy: -716.851738 where: bonds (distance) C4'-P energy: -132.270 bonds (distance) P-C4' energy: -131.948 flat angles C4'-P-C4' energy: -142.701 flat angles P-C4'-P energy: -105.110 tors. eta vs tors. theta energy: -204.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2183.838920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.838920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.838920 (E_RNA) where: Base-Base interactions energy: -1528.496 where: short stacking energy: -628.773 Base-Backbone interact. energy: -5.141 local terms energy: -650.201992 where: bonds (distance) C4'-P energy: -121.624 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -140.606 flat angles P-C4'-P energy: -97.695 tors. eta vs tors. theta energy: -167.442 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: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2076.792334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.792334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.792334 (E_RNA) where: Base-Base interactions energy: -1461.682 where: short stacking energy: -627.807 Base-Backbone interact. energy: 2.710 local terms energy: -617.820127 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -110.270 flat angles C4'-P-C4' energy: -140.700 flat angles P-C4'-P energy: -86.581 tors. eta vs tors. theta energy: -156.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1840.401359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.401359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.401359 (E_RNA) where: Base-Base interactions energy: -1248.095 where: short stacking energy: -544.850 Base-Backbone interact. energy: 2.046 local terms energy: -594.353226 where: bonds (distance) C4'-P energy: -128.778 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -129.001 flat angles P-C4'-P energy: -81.047 tors. eta vs tors. theta energy: -125.312 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: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1759.473042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.473042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.473042 (E_RNA) where: Base-Base interactions energy: -1204.892 where: short stacking energy: -506.971 Base-Backbone interact. energy: 3.875 local terms energy: -558.456846 where: bonds (distance) C4'-P energy: -108.814 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -119.523 flat angles P-C4'-P energy: -82.094 tors. eta vs tors. theta energy: -102.684 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: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1617.673842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.673842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.673842 (E_RNA) where: Base-Base interactions energy: -1065.490 where: short stacking energy: -453.889 Base-Backbone interact. energy: -4.476 local terms energy: -547.707738 where: bonds (distance) C4'-P energy: -112.598 bonds (distance) P-C4' energy: -116.026 flat angles C4'-P-C4' energy: -136.701 flat angles P-C4'-P energy: -82.481 tors. eta vs tors. theta energy: -99.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1469.984557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.984557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.984557 (E_RNA) where: Base-Base interactions energy: -995.553 where: short stacking energy: -407.184 Base-Backbone interact. energy: -0.635 local terms energy: -473.796935 where: bonds (distance) C4'-P energy: -105.149 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -118.983 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -61.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1176.080640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.080640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.080640 (E_RNA) where: Base-Base interactions energy: -723.942 where: short stacking energy: -318.314 Base-Backbone interact. energy: -3.509 local terms energy: -448.629327 where: bonds (distance) C4'-P energy: -97.554 bonds (distance) P-C4' energy: -117.649 flat angles C4'-P-C4' energy: -121.244 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -43.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -954.968190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.968190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.968190 (E_RNA) where: Base-Base interactions energy: -535.798 where: short stacking energy: -261.067 Base-Backbone interact. energy: -1.440 local terms energy: -417.729475 where: bonds (distance) C4'-P energy: -98.680 bonds (distance) P-C4' energy: -129.733 flat angles C4'-P-C4' energy: -107.932 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -23.412 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: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2446.007202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.007202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.007202 (E_RNA) where: Base-Base interactions energy: -1695.652 where: short stacking energy: -753.590 Base-Backbone interact. energy: 1.676 local terms energy: -752.031348 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -139.678 flat angles C4'-P-C4' energy: -162.104 flat angles P-C4'-P energy: -106.113 tors. eta vs tors. theta energy: -213.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2285.532822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.532822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.532822 (E_RNA) where: Base-Base interactions energy: -1605.745 where: short stacking energy: -699.679 Base-Backbone interact. energy: -1.587 local terms energy: -678.200886 where: bonds (distance) C4'-P energy: -123.873 bonds (distance) P-C4' energy: -130.114 flat angles C4'-P-C4' energy: -146.254 flat angles P-C4'-P energy: -93.095 tors. eta vs tors. theta energy: -184.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2128.348960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.348960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.348960 (E_RNA) where: Base-Base interactions energy: -1482.314 where: short stacking energy: -599.338 Base-Backbone interact. energy: -4.204 local terms energy: -641.830654 where: bonds (distance) C4'-P energy: -139.335 bonds (distance) P-C4' energy: -125.330 flat angles C4'-P-C4' energy: -143.572 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -148.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2057.299613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.299613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.299613 (E_RNA) where: Base-Base interactions energy: -1397.012 where: short stacking energy: -601.527 Base-Backbone interact. energy: 0.454 local terms energy: -660.741421 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -133.020 flat angles C4'-P-C4' energy: -147.554 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -158.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1812.766388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.766388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.766388 (E_RNA) where: Base-Base interactions energy: -1236.517 where: short stacking energy: -547.316 Base-Backbone interact. energy: -2.790 local terms energy: -573.459020 where: bonds (distance) C4'-P energy: -117.874 bonds (distance) P-C4' energy: -107.890 flat angles C4'-P-C4' energy: -137.450 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -126.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1776.201433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.201433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.201433 (E_RNA) where: Base-Base interactions energy: -1214.646 where: short stacking energy: -504.394 Base-Backbone interact. energy: 1.569 local terms energy: -563.125021 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -128.331 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: -113.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1641.144532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.144532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.144532 (E_RNA) where: Base-Base interactions energy: -1091.491 where: short stacking energy: -442.303 Base-Backbone interact. energy: -1.155 local terms energy: -548.498145 where: bonds (distance) C4'-P energy: -102.605 bonds (distance) P-C4' energy: -117.168 flat angles C4'-P-C4' energy: -135.518 flat angles P-C4'-P energy: -84.427 tors. eta vs tors. theta energy: -108.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1497.155809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.155809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.155809 (E_RNA) where: Base-Base interactions energy: -993.664 where: short stacking energy: -452.152 Base-Backbone interact. energy: 0.084 local terms energy: -503.575687 where: bonds (distance) C4'-P energy: -117.680 bonds (distance) P-C4' energy: -115.879 flat angles C4'-P-C4' energy: -131.335 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -84.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1229.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.519643 (E_RNA) where: Base-Base interactions energy: -782.214 where: short stacking energy: -346.209 Base-Backbone interact. energy: -5.660 local terms energy: -441.645794 where: bonds (distance) C4'-P energy: -108.551 bonds (distance) P-C4' energy: -121.997 flat angles C4'-P-C4' energy: -126.218 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -39.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -907.244309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.244309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.244309 (E_RNA) where: Base-Base interactions energy: -505.996 where: short stacking energy: -267.859 Base-Backbone interact. energy: 2.952 local terms energy: -404.200377 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -109.966 flat angles C4'-P-C4' energy: -117.641 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -15.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2435.132377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.132377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.132377 (E_RNA) where: Base-Base interactions energy: -1682.162 where: short stacking energy: -764.605 Base-Backbone interact. energy: 4.238 local terms energy: -757.209143 where: bonds (distance) C4'-P energy: -148.836 bonds (distance) P-C4' energy: -137.372 flat angles C4'-P-C4' energy: -155.458 flat angles P-C4'-P energy: -104.847 tors. eta vs tors. theta energy: -210.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2281.667699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.667699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.667699 (E_RNA) where: Base-Base interactions energy: -1587.866 where: short stacking energy: -691.602 Base-Backbone interact. energy: -2.734 local terms energy: -691.067684 where: bonds (distance) C4'-P energy: -128.614 bonds (distance) P-C4' energy: -128.512 flat angles C4'-P-C4' energy: -156.037 flat angles P-C4'-P energy: -86.265 tors. eta vs tors. theta energy: -191.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2178.385996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.385996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.385996 (E_RNA) where: Base-Base interactions energy: -1538.585 where: short stacking energy: -611.377 Base-Backbone interact. energy: -0.616 local terms energy: -639.184418 where: bonds (distance) C4'-P energy: -127.653 bonds (distance) P-C4' energy: -140.536 flat angles C4'-P-C4' energy: -137.631 flat angles P-C4'-P energy: -84.462 tors. eta vs tors. theta energy: -148.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2096.571763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.571763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.571763 (E_RNA) where: Base-Base interactions energy: -1466.894 where: short stacking energy: -614.380 Base-Backbone interact. energy: -0.508 local terms energy: -629.169880 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -123.973 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -98.036 tors. eta vs tors. theta energy: -156.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1877.718720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.718720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.718720 (E_RNA) where: Base-Base interactions energy: -1243.846 where: short stacking energy: -578.267 Base-Backbone interact. energy: 3.526 local terms energy: -637.398573 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -124.798 flat angles C4'-P-C4' energy: -138.657 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -159.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1735.796131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.796131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.796131 (E_RNA) where: Base-Base interactions energy: -1172.216 where: short stacking energy: -502.069 Base-Backbone interact. energy: -0.080 local terms energy: -563.500487 where: bonds (distance) C4'-P energy: -124.411 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -112.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1628.858909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.858909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.858909 (E_RNA) where: Base-Base interactions energy: -1110.492 where: short stacking energy: -448.909 Base-Backbone interact. energy: -2.898 local terms energy: -515.469655 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -122.334 flat angles P-C4'-P energy: -87.174 tors. eta vs tors. theta energy: -94.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1465.427857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.427857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.427857 (E_RNA) where: Base-Base interactions energy: -992.310 where: short stacking energy: -432.398 Base-Backbone interact. energy: 6.651 local terms energy: -479.768909 where: bonds (distance) C4'-P energy: -97.038 bonds (distance) P-C4' energy: -118.874 flat angles C4'-P-C4' energy: -125.716 flat angles P-C4'-P energy: -70.287 tors. eta vs tors. theta energy: -67.853 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: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1153.034364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.034364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.034364 (E_RNA) where: Base-Base interactions energy: -719.545 where: short stacking energy: -329.457 Base-Backbone interact. energy: -1.748 local terms energy: -431.740745 where: bonds (distance) C4'-P energy: -99.134 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -103.824 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -51.599 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: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -879.663942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.663942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.663942 (E_RNA) where: Base-Base interactions energy: -504.560 where: short stacking energy: -269.959 Base-Backbone interact. energy: -3.836 local terms energy: -371.267654 where: bonds (distance) C4'-P energy: -87.387 bonds (distance) P-C4' energy: -118.089 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -58.238 tors. eta vs tors. theta energy: -13.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2434.135525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.135525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.135525 (E_RNA) where: Base-Base interactions energy: -1708.404 where: short stacking energy: -758.960 Base-Backbone interact. energy: -1.739 local terms energy: -723.992548 where: bonds (distance) C4'-P energy: -133.454 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -156.354 flat angles P-C4'-P energy: -92.979 tors. eta vs tors. theta energy: -212.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2339.441492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.441492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.441492 (E_RNA) where: Base-Base interactions energy: -1605.012 where: short stacking energy: -692.603 Base-Backbone interact. energy: 0.863 local terms energy: -735.292178 where: bonds (distance) C4'-P energy: -141.105 bonds (distance) P-C4' energy: -139.554 flat angles C4'-P-C4' energy: -152.874 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -192.103 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2187.852419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.852419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.852419 (E_RNA) where: Base-Base interactions energy: -1547.493 where: short stacking energy: -612.635 Base-Backbone interact. energy: -1.868 local terms energy: -638.491259 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -129.999 flat angles C4'-P-C4' energy: -141.755 flat angles P-C4'-P energy: -92.764 tors. eta vs tors. theta energy: -151.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2096.540649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.540649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.540649 (E_RNA) where: Base-Base interactions energy: -1472.112 where: short stacking energy: -638.643 Base-Backbone interact. energy: 2.270 local terms energy: -626.698366 where: bonds (distance) C4'-P energy: -133.754 bonds (distance) P-C4' energy: -128.436 flat angles C4'-P-C4' energy: -139.368 flat angles P-C4'-P energy: -75.134 tors. eta vs tors. theta energy: -150.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1925.137243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.137243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.137243 (E_RNA) where: Base-Base interactions energy: -1329.261 where: short stacking energy: -601.826 Base-Backbone interact. energy: 4.363 local terms energy: -600.239835 where: bonds (distance) C4'-P energy: -110.356 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -137.948 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -134.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1760.817275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.817275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.817275 (E_RNA) where: Base-Base interactions energy: -1161.000 where: short stacking energy: -521.559 Base-Backbone interact. energy: -5.084 local terms energy: -594.732801 where: bonds (distance) C4'-P energy: -120.473 bonds (distance) P-C4' energy: -126.169 flat angles C4'-P-C4' energy: -128.731 flat angles P-C4'-P energy: -101.401 tors. eta vs tors. theta energy: -117.959 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: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1571.230180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.230180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.230180 (E_RNA) where: Base-Base interactions energy: -1032.608 where: short stacking energy: -449.401 Base-Backbone interact. energy: -0.664 local terms energy: -537.957798 where: bonds (distance) C4'-P energy: -104.881 bonds (distance) P-C4' energy: -119.011 flat angles C4'-P-C4' energy: -144.082 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -91.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1415.813863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.813863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.813863 (E_RNA) where: Base-Base interactions energy: -941.921 where: short stacking energy: -396.751 Base-Backbone interact. energy: 5.622 local terms energy: -479.514871 where: bonds (distance) C4'-P energy: -115.493 bonds (distance) P-C4' energy: -128.828 flat angles C4'-P-C4' energy: -112.642 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -60.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1158.545983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.545983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.545983 (E_RNA) where: Base-Base interactions energy: -704.843 where: short stacking energy: -301.293 Base-Backbone interact. energy: -1.641 local terms energy: -452.062641 where: bonds (distance) C4'-P energy: -89.351 bonds (distance) P-C4' energy: -122.883 flat angles C4'-P-C4' energy: -106.943 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -45.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -944.672701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.672701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.672701 (E_RNA) where: Base-Base interactions energy: -543.732 where: short stacking energy: -280.517 Base-Backbone interact. energy: 3.642 local terms energy: -404.582049 where: bonds (distance) C4'-P energy: -120.126 bonds (distance) P-C4' energy: -97.947 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -23.994 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: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2443.436974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.436974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.436974 (E_RNA) where: Base-Base interactions energy: -1707.968 where: short stacking energy: -754.102 Base-Backbone interact. energy: -1.271 local terms energy: -734.197603 where: bonds (distance) C4'-P energy: -137.320 bonds (distance) P-C4' energy: -143.559 flat angles C4'-P-C4' energy: -153.875 flat angles P-C4'-P energy: -95.920 tors. eta vs tors. theta energy: -203.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2285.068938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.068938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.068938 (E_RNA) where: Base-Base interactions energy: -1572.588 where: short stacking energy: -698.672 Base-Backbone interact. energy: -1.017 local terms energy: -711.464292 where: bonds (distance) C4'-P energy: -142.728 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -161.346 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -180.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2171.412345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.412345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.412345 (E_RNA) where: Base-Base interactions energy: -1489.139 where: short stacking energy: -634.178 Base-Backbone interact. energy: -1.370 local terms energy: -680.903776 where: bonds (distance) C4'-P energy: -133.529 bonds (distance) P-C4' energy: -116.178 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -99.850 tors. eta vs tors. theta energy: -182.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2123.916255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.916255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.916255 (E_RNA) where: Base-Base interactions energy: -1513.543 where: short stacking energy: -606.031 Base-Backbone interact. energy: 0.733 local terms energy: -611.105376 where: bonds (distance) C4'-P energy: -124.451 bonds (distance) P-C4' energy: -125.178 flat angles C4'-P-C4' energy: -130.907 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -148.923 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: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1868.044960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.044960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.044960 (E_RNA) where: Base-Base interactions energy: -1247.739 where: short stacking energy: -560.511 Base-Backbone interact. energy: -4.730 local terms energy: -615.575965 where: bonds (distance) C4'-P energy: -109.186 bonds (distance) P-C4' energy: -128.228 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -155.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1749.060438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.060438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.060438 (E_RNA) where: Base-Base interactions energy: -1189.042 where: short stacking energy: -494.809 Base-Backbone interact. energy: -2.872 local terms energy: -557.147091 where: bonds (distance) C4'-P energy: -125.328 bonds (distance) P-C4' energy: -121.107 flat angles C4'-P-C4' energy: -115.220 flat angles P-C4'-P energy: -86.519 tors. eta vs tors. theta energy: -108.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1683.270412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.270412 (E_RNA) where: Base-Base interactions energy: -1139.629 where: short stacking energy: -491.821 Base-Backbone interact. energy: -1.096 local terms energy: -542.545001 where: bonds (distance) C4'-P energy: -113.241 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -83.767 tors. eta vs tors. theta energy: -116.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1443.925833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.925833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.925833 (E_RNA) where: Base-Base interactions energy: -957.821 where: short stacking energy: -437.346 Base-Backbone interact. energy: 0.568 local terms energy: -486.672226 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -119.928 flat angles C4'-P-C4' energy: -112.785 flat angles P-C4'-P energy: -64.253 tors. eta vs tors. theta energy: -78.911 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: 78 Temperature: 1.300000 Total energy: -1242.220785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.220785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.220785 (E_RNA) where: Base-Base interactions energy: -791.568 where: short stacking energy: -348.587 Base-Backbone interact. energy: -2.294 local terms energy: -448.358801 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -124.017 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: -63.640 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: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -874.658579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.658579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.658579 (E_RNA) where: Base-Base interactions energy: -492.161 where: short stacking energy: -270.444 Base-Backbone interact. energy: 0.900 local terms energy: -383.397100 where: bonds (distance) C4'-P energy: -104.367 bonds (distance) P-C4' energy: -107.038 flat angles C4'-P-C4' energy: -92.041 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: -22.624 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: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2436.701224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.701224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.701224 (E_RNA) where: Base-Base interactions energy: -1673.712 where: short stacking energy: -740.501 Base-Backbone interact. energy: -1.195 local terms energy: -761.794650 where: bonds (distance) C4'-P energy: -150.398 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -166.836 flat angles P-C4'-P energy: -99.458 tors. eta vs tors. theta energy: -208.139 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: 9 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2281.591245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.591245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.591245 (E_RNA) where: Base-Base interactions energy: -1589.057 where: short stacking energy: -716.335 Base-Backbone interact. energy: -3.768 local terms energy: -689.069791 where: bonds (distance) C4'-P energy: -129.497 bonds (distance) P-C4' energy: -121.607 flat angles C4'-P-C4' energy: -155.588 flat angles P-C4'-P energy: -101.005 tors. eta vs tors. theta energy: -181.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.304 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2130.893023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.893023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.893023 (E_RNA) where: Base-Base interactions energy: -1456.724 where: short stacking energy: -627.464 Base-Backbone interact. energy: -1.341 local terms energy: -672.827580 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -129.869 flat angles C4'-P-C4' energy: -155.067 flat angles P-C4'-P energy: -97.784 tors. eta vs tors. theta energy: -166.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2102.255707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.255707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.255707 (E_RNA) where: Base-Base interactions energy: -1476.879 where: short stacking energy: -597.913 Base-Backbone interact. energy: 4.430 local terms energy: -629.806917 where: bonds (distance) C4'-P energy: -123.999 bonds (distance) P-C4' energy: -135.708 flat angles C4'-P-C4' energy: -142.653 flat angles P-C4'-P energy: -85.224 tors. eta vs tors. theta energy: -142.222 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: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1856.419508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.419508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.419508 (E_RNA) where: Base-Base interactions energy: -1259.192 where: short stacking energy: -566.126 Base-Backbone interact. energy: -3.271 local terms energy: -593.956087 where: bonds (distance) C4'-P energy: -113.442 bonds (distance) P-C4' energy: -114.609 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -128.058 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: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1773.499396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.499396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.499396 (E_RNA) where: Base-Base interactions energy: -1186.687 where: short stacking energy: -516.683 Base-Backbone interact. energy: -2.408 local terms energy: -584.404255 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -118.347 flat angles C4'-P-C4' energy: -129.197 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: -123.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1607.365985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.365985 (E_RNA) where: Base-Base interactions energy: -1091.784 where: short stacking energy: -502.119 Base-Backbone interact. energy: -2.323 local terms energy: -513.258810 where: bonds (distance) C4'-P energy: -106.986 bonds (distance) P-C4' energy: -118.971 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -65.733 tors. eta vs tors. theta energy: -110.806 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: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1481.020293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.020293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.020293 (E_RNA) where: Base-Base interactions energy: -995.235 where: short stacking energy: -417.145 Base-Backbone interact. energy: -2.620 local terms energy: -483.165116 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -109.607 flat angles C4'-P-C4' energy: -120.161 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -82.606 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: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1276.345772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.345772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.345772 (E_RNA) where: Base-Base interactions energy: -801.264 where: short stacking energy: -367.660 Base-Backbone interact. energy: -1.752 local terms energy: -473.330240 where: bonds (distance) C4'-P energy: -100.541 bonds (distance) P-C4' energy: -114.924 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -72.397 tors. eta vs tors. theta energy: -61.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -932.367781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.367781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.367781 (E_RNA) where: Base-Base interactions energy: -541.554 where: short stacking energy: -278.244 Base-Backbone interact. energy: 1.916 local terms energy: -392.729663 where: bonds (distance) C4'-P energy: -97.155 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -124.906 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: -16.547 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: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2431.179277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.179277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.179277 (E_RNA) where: Base-Base interactions energy: -1701.053 where: short stacking energy: -740.118 Base-Backbone interact. energy: -0.250 local terms energy: -729.876223 where: bonds (distance) C4'-P energy: -124.007 bonds (distance) P-C4' energy: -128.511 flat angles C4'-P-C4' energy: -153.870 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -205.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2309.072717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.072717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.072717 (E_RNA) where: Base-Base interactions energy: -1624.688 where: short stacking energy: -675.758 Base-Backbone interact. energy: -4.266 local terms energy: -680.118645 where: bonds (distance) C4'-P energy: -118.314 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -138.126 flat angles P-C4'-P energy: -97.887 tors. eta vs tors. theta energy: -181.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2219.304564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.304564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.304564 (E_RNA) where: Base-Base interactions energy: -1527.778 where: short stacking energy: -666.227 Base-Backbone interact. energy: -2.079 local terms energy: -689.448094 where: bonds (distance) C4'-P energy: -132.952 bonds (distance) P-C4' energy: -126.904 flat angles C4'-P-C4' energy: -150.886 flat angles P-C4'-P energy: -99.338 tors. eta vs tors. theta energy: -179.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2079.745191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.745191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.745191 (E_RNA) where: Base-Base interactions energy: -1461.830 where: short stacking energy: -620.747 Base-Backbone interact. energy: 0.256 local terms energy: -618.170383 where: bonds (distance) C4'-P energy: -117.990 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: -144.325 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: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1869.922614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.922614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.922614 (E_RNA) where: Base-Base interactions energy: -1276.319 where: short stacking energy: -568.356 Base-Backbone interact. energy: -4.415 local terms energy: -589.188964 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -120.462 flat angles C4'-P-C4' energy: -139.654 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -132.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1760.397201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.397201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.397201 (E_RNA) where: Base-Base interactions energy: -1232.601 where: short stacking energy: -486.495 Base-Backbone interact. energy: 2.805 local terms energy: -530.601789 where: bonds (distance) C4'-P energy: -113.727 bonds (distance) P-C4' energy: -127.830 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -97.665 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1602.280687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.280687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.280687 (E_RNA) where: Base-Base interactions energy: -1069.083 where: short stacking energy: -484.807 Base-Backbone interact. energy: 0.221 local terms energy: -533.418765 where: bonds (distance) C4'-P energy: -103.897 bonds (distance) P-C4' energy: -133.472 flat angles C4'-P-C4' energy: -120.138 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -106.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1494.795322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.795322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.795322 (E_RNA) where: Base-Base interactions energy: -986.594 where: short stacking energy: -417.284 Base-Backbone interact. energy: 0.530 local terms energy: -508.730824 where: bonds (distance) C4'-P energy: -118.442 bonds (distance) P-C4' energy: -118.019 flat angles C4'-P-C4' energy: -133.021 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -80.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1087.467805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.467805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.467805 (E_RNA) where: Base-Base interactions energy: -662.458 where: short stacking energy: -310.477 Base-Backbone interact. energy: -3.116 local terms energy: -421.893638 where: bonds (distance) C4'-P energy: -114.009 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -116.366 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -25.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1224.772663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.772663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.772663 (E_RNA) where: Base-Base interactions energy: -778.804 where: short stacking energy: -341.682 Base-Backbone interact. energy: 0.387 local terms energy: -446.354682 where: bonds (distance) C4'-P energy: -106.620 bonds (distance) P-C4' energy: -106.136 flat angles C4'-P-C4' energy: -109.968 flat angles P-C4'-P energy: -72.593 tors. eta vs tors. theta energy: -51.038 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: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2461.225397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.225397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.225397 (E_RNA) where: Base-Base interactions energy: -1717.491 where: short stacking energy: -774.251 Base-Backbone interact. energy: 0.211 local terms energy: -743.944953 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -125.232 flat angles C4'-P-C4' energy: -150.341 flat angles P-C4'-P energy: -114.534 tors. eta vs tors. theta energy: -217.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2321.879054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.879054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.879054 (E_RNA) where: Base-Base interactions energy: -1616.088 where: short stacking energy: -661.146 Base-Backbone interact. energy: -3.149 local terms energy: -702.641269 where: bonds (distance) C4'-P energy: -136.431 bonds (distance) P-C4' energy: -136.792 flat angles C4'-P-C4' energy: -150.937 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -177.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2206.340991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.340991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.340991 (E_RNA) where: Base-Base interactions energy: -1545.796 where: short stacking energy: -632.722 Base-Backbone interact. energy: 2.455 local terms energy: -663.000099 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -141.721 flat angles P-C4'-P energy: -83.003 tors. eta vs tors. theta energy: -174.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2133.276855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.276855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.276855 (E_RNA) where: Base-Base interactions energy: -1506.931 where: short stacking energy: -618.849 Base-Backbone interact. energy: 6.942 local terms energy: -633.287650 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -145.560 flat angles P-C4'-P energy: -83.838 tors. eta vs tors. theta energy: -154.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1866.813230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.813230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.813230 (E_RNA) where: Base-Base interactions energy: -1302.235 where: short stacking energy: -544.031 Base-Backbone interact. energy: -3.594 local terms energy: -560.984255 where: bonds (distance) C4'-P energy: -120.608 bonds (distance) P-C4' energy: -102.056 flat angles C4'-P-C4' energy: -120.544 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -125.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1853.592082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.592082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.592082 (E_RNA) where: Base-Base interactions energy: -1295.173 where: short stacking energy: -537.510 Base-Backbone interact. energy: -2.566 local terms energy: -555.853992 where: bonds (distance) C4'-P energy: -98.214 bonds (distance) P-C4' energy: -131.012 flat angles C4'-P-C4' energy: -127.291 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -122.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1659.387539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.387539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.387539 (E_RNA) where: Base-Base interactions energy: -1120.858 where: short stacking energy: -486.241 Base-Backbone interact. energy: 1.440 local terms energy: -539.969423 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -140.676 flat angles C4'-P-C4' energy: -125.496 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -102.483 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: 81 Temperature: 1.250000 Total energy: -1528.413694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.413694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.413694 (E_RNA) where: Base-Base interactions energy: -1029.254 where: short stacking energy: -443.327 Base-Backbone interact. energy: -3.373 local terms energy: -495.786843 where: bonds (distance) C4'-P energy: -111.855 bonds (distance) P-C4' energy: -125.503 flat angles C4'-P-C4' energy: -110.534 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -73.290 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: 81 Temperature: 1.300000 Total energy: -1019.599985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.599985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.599985 (E_RNA) where: Base-Base interactions energy: -601.058 where: short stacking energy: -277.523 Base-Backbone interact. energy: -0.570 local terms energy: -417.971395 where: bonds (distance) C4'-P energy: -101.117 bonds (distance) P-C4' energy: -113.979 flat angles C4'-P-C4' energy: -112.660 flat angles P-C4'-P energy: -78.050 tors. eta vs tors. theta energy: -12.167 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: 81 Temperature: 1.350000 Total energy: -1317.848284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.848284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.848284 (E_RNA) where: Base-Base interactions energy: -857.857 where: short stacking energy: -382.870 Base-Backbone interact. energy: -1.337 local terms energy: -458.654447 where: bonds (distance) C4'-P energy: -108.366 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -59.887 tors. eta vs tors. theta energy: -65.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2491.762638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.762638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.762638 (E_RNA) where: Base-Base interactions energy: -1773.669 where: short stacking energy: -776.327 Base-Backbone interact. energy: 3.473 local terms energy: -721.566537 where: bonds (distance) C4'-P energy: -138.548 bonds (distance) P-C4' energy: -126.191 flat angles C4'-P-C4' energy: -147.692 flat angles P-C4'-P energy: -96.374 tors. eta vs tors. theta energy: -212.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2337.662532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.662532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.662532 (E_RNA) where: Base-Base interactions energy: -1636.532 where: short stacking energy: -703.266 Base-Backbone interact. energy: -4.001 local terms energy: -697.130250 where: bonds (distance) C4'-P energy: -135.986 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -150.091 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -192.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2199.771476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.771476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.771476 (E_RNA) where: Base-Base interactions energy: -1522.657 where: short stacking energy: -641.248 Base-Backbone interact. energy: -1.990 local terms energy: -675.125260 where: bonds (distance) C4'-P energy: -132.338 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -96.728 tors. eta vs tors. theta energy: -171.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2063.928814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.928814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.928814 (E_RNA) where: Base-Base interactions energy: -1448.445 where: short stacking energy: -605.481 Base-Backbone interact. energy: -0.790 local terms energy: -614.694319 where: bonds (distance) C4'-P energy: -129.925 bonds (distance) P-C4' energy: -125.300 flat angles C4'-P-C4' energy: -135.870 flat angles P-C4'-P energy: -81.141 tors. eta vs tors. theta energy: -142.458 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: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1916.256633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.256633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.256633 (E_RNA) where: Base-Base interactions energy: -1312.884 where: short stacking energy: -529.424 Base-Backbone interact. energy: -3.108 local terms energy: -600.264574 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -127.490 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -136.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1790.839798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.839798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.839798 (E_RNA) where: Base-Base interactions energy: -1236.131 where: short stacking energy: -556.717 Base-Backbone interact. energy: -1.174 local terms energy: -553.534833 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -137.976 flat angles P-C4'-P energy: -86.531 tors. eta vs tors. theta energy: -128.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1578.777886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.777886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.777886 (E_RNA) where: Base-Base interactions energy: -1051.345 where: short stacking energy: -472.651 Base-Backbone interact. energy: 2.013 local terms energy: -529.445989 where: bonds (distance) C4'-P energy: -117.171 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -135.120 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -89.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1529.326922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.326922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.326922 (E_RNA) where: Base-Base interactions energy: -1028.141 where: short stacking energy: -450.593 Base-Backbone interact. energy: -2.683 local terms energy: -498.502821 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -126.220 flat angles C4'-P-C4' energy: -126.867 flat angles P-C4'-P energy: -67.422 tors. eta vs tors. theta energy: -89.151 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: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1405.074573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.074573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.074573 (E_RNA) where: Base-Base interactions energy: -921.385 where: short stacking energy: -420.218 Base-Backbone interact. energy: 0.011 local terms energy: -483.701080 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -77.472 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: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -977.788092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.788092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.788092 (E_RNA) where: Base-Base interactions energy: -582.256 where: short stacking energy: -259.191 Base-Backbone interact. energy: -0.792 local terms energy: -394.740448 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -117.660 flat angles C4'-P-C4' energy: -96.854 flat angles P-C4'-P energy: -70.981 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: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2446.671392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.671392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.671392 (E_RNA) where: Base-Base interactions energy: -1717.140 where: short stacking energy: -749.262 Base-Backbone interact. energy: 0.628 local terms energy: -730.159708 where: bonds (distance) C4'-P energy: -123.002 bonds (distance) P-C4' energy: -130.873 flat angles C4'-P-C4' energy: -161.035 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -202.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2334.859524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.859524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.859524 (E_RNA) where: Base-Base interactions energy: -1655.305 where: short stacking energy: -692.438 Base-Backbone interact. energy: -1.483 local terms energy: -678.071362 where: bonds (distance) C4'-P energy: -138.235 bonds (distance) P-C4' energy: -109.223 flat angles C4'-P-C4' energy: -154.196 flat angles P-C4'-P energy: -89.417 tors. eta vs tors. theta energy: -187.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2197.068927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.068927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.068927 (E_RNA) where: Base-Base interactions energy: -1518.659 where: short stacking energy: -677.224 Base-Backbone interact. energy: -4.623 local terms energy: -673.786182 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -123.976 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -188.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2082.796897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.796897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.796897 (E_RNA) where: Base-Base interactions energy: -1475.728 where: short stacking energy: -614.759 Base-Backbone interact. energy: -3.821 local terms energy: -603.248191 where: bonds (distance) C4'-P energy: -108.732 bonds (distance) P-C4' energy: -129.176 flat angles C4'-P-C4' energy: -142.509 flat angles P-C4'-P energy: -78.622 tors. eta vs tors. theta energy: -144.209 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: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1932.275817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.275817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.275817 (E_RNA) where: Base-Base interactions energy: -1348.228 where: short stacking energy: -549.424 Base-Backbone interact. energy: 1.152 local terms energy: -585.199810 where: bonds (distance) C4'-P energy: -112.001 bonds (distance) P-C4' energy: -125.917 flat angles C4'-P-C4' energy: -125.318 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -137.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1828.986219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.986219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.986219 (E_RNA) where: Base-Base interactions energy: -1243.336 where: short stacking energy: -555.916 Base-Backbone interact. energy: -0.314 local terms energy: -585.336720 where: bonds (distance) C4'-P energy: -100.237 bonds (distance) P-C4' energy: -119.196 flat angles C4'-P-C4' energy: -145.411 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -135.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1596.671818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.671818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.671818 (E_RNA) where: Base-Base interactions energy: -1058.501 where: short stacking energy: -435.473 Base-Backbone interact. energy: 6.531 local terms energy: -544.702511 where: bonds (distance) C4'-P energy: -110.237 bonds (distance) P-C4' energy: -129.325 flat angles C4'-P-C4' energy: -128.594 flat angles P-C4'-P energy: -90.223 tors. eta vs tors. theta energy: -86.323 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: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1456.589763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.589763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.589763 (E_RNA) where: Base-Base interactions energy: -953.364 where: short stacking energy: -409.414 Base-Backbone interact. energy: -0.447 local terms energy: -502.779330 where: bonds (distance) C4'-P energy: -108.851 bonds (distance) P-C4' energy: -121.612 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -68.478 tors. eta vs tors. theta energy: -71.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1395.209672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.209672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.209672 (E_RNA) where: Base-Base interactions energy: -912.371 where: short stacking energy: -413.262 Base-Backbone interact. energy: -1.646 local terms energy: -481.192422 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -116.948 flat angles C4'-P-C4' energy: -107.059 flat angles P-C4'-P energy: -73.518 tors. eta vs tors. theta energy: -70.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -910.498461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.498461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.498461 (E_RNA) where: Base-Base interactions energy: -543.612 where: short stacking energy: -272.344 Base-Backbone interact. energy: 4.509 local terms energy: -371.395141 where: bonds (distance) C4'-P energy: -113.207 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -39.720 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2435.973150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.973150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.973150 (E_RNA) where: Base-Base interactions energy: -1702.368 where: short stacking energy: -762.111 Base-Backbone interact. energy: -1.540 local terms energy: -732.065190 where: bonds (distance) C4'-P energy: -128.329 bonds (distance) P-C4' energy: -129.696 flat angles C4'-P-C4' energy: -160.464 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -204.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2311.504485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.504485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.504485 (E_RNA) where: Base-Base interactions energy: -1603.896 where: short stacking energy: -664.992 Base-Backbone interact. energy: -7.867 local terms energy: -699.819810 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -134.664 flat angles C4'-P-C4' energy: -151.293 flat angles P-C4'-P energy: -101.851 tors. eta vs tors. theta energy: -179.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2219.416720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.416720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.416720 (E_RNA) where: Base-Base interactions energy: -1514.780 where: short stacking energy: -655.261 Base-Backbone interact. energy: 0.970 local terms energy: -705.606838 where: bonds (distance) C4'-P energy: -140.543 bonds (distance) P-C4' energy: -141.280 flat angles C4'-P-C4' energy: -145.866 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -177.097 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: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2117.792681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.792681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.792681 (E_RNA) where: Base-Base interactions energy: -1498.560 where: short stacking energy: -590.492 Base-Backbone interact. energy: -0.924 local terms energy: -618.308903 where: bonds (distance) C4'-P energy: -119.910 bonds (distance) P-C4' energy: -119.796 flat angles C4'-P-C4' energy: -138.790 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -151.072 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: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1938.838765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.838765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.838765 (E_RNA) where: Base-Base interactions energy: -1351.089 where: short stacking energy: -592.931 Base-Backbone interact. energy: 5.000 local terms energy: -592.749289 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -124.120 flat angles C4'-P-C4' energy: -125.938 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -139.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1797.712937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.712937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.712937 (E_RNA) where: Base-Base interactions energy: -1223.650 where: short stacking energy: -542.053 Base-Backbone interact. energy: 2.150 local terms energy: -576.213024 where: bonds (distance) C4'-P energy: -117.959 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -125.310 flat angles P-C4'-P energy: -96.521 tors. eta vs tors. theta energy: -122.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1654.109627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.109627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.109627 (E_RNA) where: Base-Base interactions energy: -1088.608 where: short stacking energy: -446.799 Base-Backbone interact. energy: -1.788 local terms energy: -563.713196 where: bonds (distance) C4'-P energy: -124.771 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -117.864 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -102.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1474.588017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.588017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.588017 (E_RNA) where: Base-Base interactions energy: -970.710 where: short stacking energy: -420.318 Base-Backbone interact. energy: 3.479 local terms energy: -507.357234 where: bonds (distance) C4'-P energy: -119.117 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -113.150 flat angles P-C4'-P energy: -87.792 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1402.267982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.267982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.267982 (E_RNA) where: Base-Base interactions energy: -915.614 where: short stacking energy: -427.315 Base-Backbone interact. energy: -0.966 local terms energy: -485.687622 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -121.670 flat angles C4'-P-C4' energy: -94.885 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: -92.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -905.541586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.541586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.541586 (E_RNA) where: Base-Base interactions energy: -506.717 where: short stacking energy: -260.026 Base-Backbone interact. energy: -1.712 local terms energy: -397.112465 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -120.159 flat angles C4'-P-C4' energy: -101.284 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2440.170703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.170703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.170703 (E_RNA) where: Base-Base interactions energy: -1704.786 where: short stacking energy: -747.855 Base-Backbone interact. energy: -1.841 local terms energy: -733.543569 where: bonds (distance) C4'-P energy: -131.697 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -159.018 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -210.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2308.137044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.137044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.137044 (E_RNA) where: Base-Base interactions energy: -1594.984 where: short stacking energy: -698.412 Base-Backbone interact. energy: -4.292 local terms energy: -708.860387 where: bonds (distance) C4'-P energy: -135.501 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -142.951 flat angles P-C4'-P energy: -101.325 tors. eta vs tors. theta energy: -185.524 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: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2215.930233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.930233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.930233 (E_RNA) where: Base-Base interactions energy: -1541.181 where: short stacking energy: -637.061 Base-Backbone interact. energy: -5.876 local terms energy: -668.873490 where: bonds (distance) C4'-P energy: -125.224 bonds (distance) P-C4' energy: -135.586 flat angles C4'-P-C4' energy: -145.817 flat angles P-C4'-P energy: -92.976 tors. eta vs tors. theta energy: -169.270 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: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2111.954796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.954796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.954796 (E_RNA) where: Base-Base interactions energy: -1473.252 where: short stacking energy: -611.157 Base-Backbone interact. energy: 2.908 local terms energy: -641.610858 where: bonds (distance) C4'-P energy: -115.102 bonds (distance) P-C4' energy: -125.131 flat angles C4'-P-C4' energy: -136.079 flat angles P-C4'-P energy: -97.028 tors. eta vs tors. theta energy: -168.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1896.708919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.708919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.708919 (E_RNA) where: Base-Base interactions energy: -1299.681 where: short stacking energy: -560.723 Base-Backbone interact. energy: -1.341 local terms energy: -595.687287 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -114.818 flat angles C4'-P-C4' energy: -132.984 flat angles P-C4'-P energy: -100.392 tors. eta vs tors. theta energy: -133.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1795.951180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.951180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.951180 (E_RNA) where: Base-Base interactions energy: -1233.775 where: short stacking energy: -536.883 Base-Backbone interact. energy: -3.023 local terms energy: -559.153845 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -111.758 flat angles C4'-P-C4' energy: -123.252 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -119.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1630.437108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.437108 (E_RNA) where: Base-Base interactions energy: -1127.796 where: short stacking energy: -520.330 Base-Backbone interact. energy: 4.850 local terms energy: -507.490925 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -116.975 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -111.664 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: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1469.896702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.896702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.896702 (E_RNA) where: Base-Base interactions energy: -965.436 where: short stacking energy: -442.912 Base-Backbone interact. energy: -3.186 local terms energy: -501.273940 where: bonds (distance) C4'-P energy: -99.310 bonds (distance) P-C4' energy: -121.850 flat angles C4'-P-C4' energy: -109.088 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -87.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1414.367994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.367994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.367994 (E_RNA) where: Base-Base interactions energy: -935.668 where: short stacking energy: -408.914 Base-Backbone interact. energy: 0.144 local terms energy: -478.844045 where: bonds (distance) C4'-P energy: -111.068 bonds (distance) P-C4' energy: -99.190 flat angles C4'-P-C4' energy: -99.218 flat angles P-C4'-P energy: -87.729 tors. eta vs tors. theta energy: -81.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -844.967953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.967953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.967953 (E_RNA) where: Base-Base interactions energy: -448.440 where: short stacking energy: -240.072 Base-Backbone interact. energy: -1.762 local terms energy: -394.765676 where: bonds (distance) C4'-P energy: -108.459 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -97.943 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2457.228915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.228915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.228915 (E_RNA) where: Base-Base interactions energy: -1726.745 where: short stacking energy: -778.723 Base-Backbone interact. energy: -0.810 local terms energy: -729.673719 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -96.584 tors. eta vs tors. theta energy: -218.635 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: 86 Temperature: 0.950000 Total energy: -2322.829089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.829089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.829089 (E_RNA) where: Base-Base interactions energy: -1602.388 where: short stacking energy: -699.939 Base-Backbone interact. energy: -6.926 local terms energy: -713.514869 where: bonds (distance) C4'-P energy: -125.888 bonds (distance) P-C4' energy: -135.801 flat angles C4'-P-C4' energy: -154.748 flat angles P-C4'-P energy: -98.572 tors. eta vs tors. theta energy: -198.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2195.129655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.129655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.129655 (E_RNA) where: Base-Base interactions energy: -1514.483 where: short stacking energy: -626.524 Base-Backbone interact. energy: 0.096 local terms energy: -680.742564 where: bonds (distance) C4'-P energy: -129.573 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -154.147 flat angles P-C4'-P energy: -89.967 tors. eta vs tors. theta energy: -175.236 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: 86 Temperature: 1.050000 Total energy: -2139.907089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.907089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.907089 (E_RNA) where: Base-Base interactions energy: -1486.742 where: short stacking energy: -616.706 Base-Backbone interact. energy: -1.767 local terms energy: -651.397484 where: bonds (distance) C4'-P energy: -123.443 bonds (distance) P-C4' energy: -127.290 flat angles C4'-P-C4' energy: -144.559 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -155.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1926.740934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.740934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.740934 (E_RNA) where: Base-Base interactions energy: -1362.932 where: short stacking energy: -587.282 Base-Backbone interact. energy: 3.767 local terms energy: -567.576449 where: bonds (distance) C4'-P energy: -121.079 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -129.072 flat angles P-C4'-P energy: -71.765 tors. eta vs tors. theta energy: -124.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1816.597461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.597461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.597461 (E_RNA) where: Base-Base interactions energy: -1245.422 where: short stacking energy: -556.408 Base-Backbone interact. energy: 3.037 local terms energy: -574.212365 where: bonds (distance) C4'-P energy: -105.271 bonds (distance) P-C4' energy: -140.669 flat angles C4'-P-C4' energy: -125.566 flat angles P-C4'-P energy: -75.101 tors. eta vs tors. theta energy: -127.606 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1533.878659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.878659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.878659 (E_RNA) where: Base-Base interactions energy: -1032.888 where: short stacking energy: -449.604 Base-Backbone interact. energy: -5.848 local terms energy: -495.143218 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -118.176 flat angles C4'-P-C4' energy: -104.054 flat angles P-C4'-P energy: -81.330 tors. eta vs tors. theta energy: -73.802 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: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1523.978502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.978502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.978502 (E_RNA) where: Base-Base interactions energy: -1033.247 where: short stacking energy: -425.136 Base-Backbone interact. energy: 1.566 local terms energy: -492.297012 where: bonds (distance) C4'-P energy: -117.808 bonds (distance) P-C4' energy: -103.304 flat angles C4'-P-C4' energy: -113.194 flat angles P-C4'-P energy: -81.074 tors. eta vs tors. theta energy: -76.917 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: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1373.917201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.917201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.917201 (E_RNA) where: Base-Base interactions energy: -936.247 where: short stacking energy: -382.800 Base-Backbone interact. energy: -4.020 local terms energy: -433.650080 where: bonds (distance) C4'-P energy: -93.839 bonds (distance) P-C4' energy: -102.800 flat angles C4'-P-C4' energy: -117.653 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -69.436 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: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -907.487128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.487128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.487128 (E_RNA) where: Base-Base interactions energy: -528.251 where: short stacking energy: -273.595 Base-Backbone interact. energy: -1.970 local terms energy: -377.265344 where: bonds (distance) C4'-P energy: -93.269 bonds (distance) P-C4' energy: -116.718 flat angles C4'-P-C4' energy: -95.945 flat angles P-C4'-P energy: -46.596 tors. eta vs tors. theta energy: -24.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2461.215707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.215707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.215707 (E_RNA) where: Base-Base interactions energy: -1704.421 where: short stacking energy: -738.144 Base-Backbone interact. energy: -2.818 local terms energy: -753.976107 where: bonds (distance) C4'-P energy: -139.162 bonds (distance) P-C4' energy: -139.776 flat angles C4'-P-C4' energy: -149.331 flat angles P-C4'-P energy: -114.037 tors. eta vs tors. theta energy: -211.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2293.850339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.850339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.850339 (E_RNA) where: Base-Base interactions energy: -1592.422 where: short stacking energy: -685.534 Base-Backbone interact. energy: -2.005 local terms energy: -699.422999 where: bonds (distance) C4'-P energy: -127.114 bonds (distance) P-C4' energy: -142.358 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -92.312 tors. eta vs tors. theta energy: -188.549 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: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2199.807975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.807975 (E_RNA) where: Base-Base interactions energy: -1532.581 where: short stacking energy: -655.712 Base-Backbone interact. energy: -3.609 local terms energy: -663.617839 where: bonds (distance) C4'-P energy: -108.059 bonds (distance) P-C4' energy: -130.557 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -111.052 tors. eta vs tors. theta energy: -165.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2070.770137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.770137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.770137 (E_RNA) where: Base-Base interactions energy: -1431.057 where: short stacking energy: -613.701 Base-Backbone interact. energy: -1.311 local terms energy: -638.402909 where: bonds (distance) C4'-P energy: -112.535 bonds (distance) P-C4' energy: -135.921 flat angles C4'-P-C4' energy: -145.456 flat angles P-C4'-P energy: -83.310 tors. eta vs tors. theta energy: -161.182 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: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1971.081759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.081759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.081759 (E_RNA) where: Base-Base interactions energy: -1373.535 where: short stacking energy: -585.531 Base-Backbone interact. energy: -1.934 local terms energy: -595.613471 where: bonds (distance) C4'-P energy: -110.578 bonds (distance) P-C4' energy: -102.966 flat angles C4'-P-C4' energy: -144.395 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -137.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1795.742396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.742396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.742396 (E_RNA) where: Base-Base interactions energy: -1242.323 where: short stacking energy: -558.844 Base-Backbone interact. energy: -2.318 local terms energy: -551.101591 where: bonds (distance) C4'-P energy: -104.307 bonds (distance) P-C4' energy: -122.283 flat angles C4'-P-C4' energy: -121.553 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -131.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1593.451630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.451630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.451630 (E_RNA) where: Base-Base interactions energy: -1083.918 where: short stacking energy: -484.326 Base-Backbone interact. energy: -3.058 local terms energy: -508.505508 where: bonds (distance) C4'-P energy: -117.021 bonds (distance) P-C4' energy: -110.289 flat angles C4'-P-C4' energy: -126.308 flat angles P-C4'-P energy: -69.623 tors. eta vs tors. theta energy: -85.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.029 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1594.292542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.292542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.292542 (E_RNA) where: Base-Base interactions energy: -1101.370 where: short stacking energy: -472.290 Base-Backbone interact. energy: 2.743 local terms energy: -495.664807 where: bonds (distance) C4'-P energy: -91.058 bonds (distance) P-C4' energy: -112.949 flat angles C4'-P-C4' energy: -119.269 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -99.284 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: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1421.049698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.049698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.049698 (E_RNA) where: Base-Base interactions energy: -955.632 where: short stacking energy: -441.614 Base-Backbone interact. energy: -2.293 local terms energy: -463.124895 where: bonds (distance) C4'-P energy: -96.887 bonds (distance) P-C4' energy: -98.595 flat angles C4'-P-C4' energy: -127.316 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -84.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -963.266098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.266098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.266098 (E_RNA) where: Base-Base interactions energy: -578.674 where: short stacking energy: -269.967 Base-Backbone interact. energy: -0.696 local terms energy: -383.896237 where: bonds (distance) C4'-P energy: -104.488 bonds (distance) P-C4' energy: -104.267 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -22.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2490.501997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.501997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.501997 (E_RNA) where: Base-Base interactions energy: -1747.696 where: short stacking energy: -764.001 Base-Backbone interact. energy: -0.258 local terms energy: -742.548642 where: bonds (distance) C4'-P energy: -135.224 bonds (distance) P-C4' energy: -145.124 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -98.939 tors. eta vs tors. theta energy: -210.356 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: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2291.495659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.495659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.495659 (E_RNA) where: Base-Base interactions energy: -1612.219 where: short stacking energy: -703.871 Base-Backbone interact. energy: -3.414 local terms energy: -675.862423 where: bonds (distance) C4'-P energy: -117.649 bonds (distance) P-C4' energy: -127.088 flat angles C4'-P-C4' energy: -153.470 flat angles P-C4'-P energy: -92.889 tors. eta vs tors. theta energy: -184.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2197.108459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.108459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.108459 (E_RNA) where: Base-Base interactions energy: -1507.413 where: short stacking energy: -616.315 Base-Backbone interact. energy: -0.116 local terms energy: -689.578756 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -151.954 flat angles C4'-P-C4' energy: -147.965 flat angles P-C4'-P energy: -91.249 tors. eta vs tors. theta energy: -173.236 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: 88 Temperature: 1.050000 Total energy: -2114.703789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.703789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.703789 (E_RNA) where: Base-Base interactions energy: -1473.343 where: short stacking energy: -644.471 Base-Backbone interact. energy: -2.040 local terms energy: -639.320316 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -124.313 flat angles C4'-P-C4' energy: -142.600 flat angles P-C4'-P energy: -92.598 tors. eta vs tors. theta energy: -165.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1942.178181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.178181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.178181 (E_RNA) where: Base-Base interactions energy: -1335.015 where: short stacking energy: -570.781 Base-Backbone interact. energy: 2.720 local terms energy: -609.883770 where: bonds (distance) C4'-P energy: -137.324 bonds (distance) P-C4' energy: -129.422 flat angles C4'-P-C4' energy: -125.116 flat angles P-C4'-P energy: -92.808 tors. eta vs tors. theta energy: -125.214 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: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1860.361503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.361503 (E_RNA) where: Base-Base interactions energy: -1256.605 where: short stacking energy: -565.872 Base-Backbone interact. energy: -2.844 local terms energy: -600.912076 where: bonds (distance) C4'-P energy: -118.342 bonds (distance) P-C4' energy: -138.344 flat angles C4'-P-C4' energy: -118.033 flat angles P-C4'-P energy: -94.390 tors. eta vs tors. theta energy: -131.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1597.000153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.000153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.000153 (E_RNA) where: Base-Base interactions energy: -1094.294 where: short stacking energy: -468.067 Base-Backbone interact. energy: -2.983 local terms energy: -499.723213 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -122.166 flat angles P-C4'-P energy: -60.577 tors. eta vs tors. theta energy: -109.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1521.474167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.474167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.474167 (E_RNA) where: Base-Base interactions energy: -1020.648 where: short stacking energy: -454.693 Base-Backbone interact. energy: 3.364 local terms energy: -504.189777 where: bonds (distance) C4'-P energy: -112.787 bonds (distance) P-C4' energy: -107.147 flat angles C4'-P-C4' energy: -124.857 flat angles P-C4'-P energy: -73.995 tors. eta vs tors. theta energy: -85.403 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: 88 Temperature: 1.300000 Total energy: -1366.454511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.454511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.454511 (E_RNA) where: Base-Base interactions energy: -860.730 where: short stacking energy: -404.268 Base-Backbone interact. energy: -1.535 local terms energy: -504.189247 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -109.042 flat angles C4'-P-C4' energy: -117.294 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -85.409 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: 88 Temperature: 1.350000 Total energy: -967.790380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.790380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.790380 (E_RNA) where: Base-Base interactions energy: -575.804 where: short stacking energy: -275.591 Base-Backbone interact. energy: -0.566 local terms energy: -391.420444 where: bonds (distance) C4'-P energy: -114.429 bonds (distance) P-C4' energy: -114.818 flat angles C4'-P-C4' energy: -96.425 flat angles P-C4'-P energy: -48.454 tors. eta vs tors. theta energy: -17.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2485.471357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.471357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.471357 (E_RNA) where: Base-Base interactions energy: -1749.926 where: short stacking energy: -764.521 Base-Backbone interact. energy: -5.428 local terms energy: -730.117671 where: bonds (distance) C4'-P energy: -118.419 bonds (distance) P-C4' energy: -132.390 flat angles C4'-P-C4' energy: -157.623 flat angles P-C4'-P energy: -107.331 tors. eta vs tors. theta energy: -214.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2312.317811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.317811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.317811 (E_RNA) where: Base-Base interactions energy: -1596.964 where: short stacking energy: -665.829 Base-Backbone interact. energy: -4.541 local terms energy: -713.074973 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -122.025 flat angles C4'-P-C4' energy: -153.858 flat angles P-C4'-P energy: -116.979 tors. eta vs tors. theta energy: -184.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.262 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2201.266029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.266029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.266029 (E_RNA) where: Base-Base interactions energy: -1514.936 where: short stacking energy: -622.625 Base-Backbone interact. energy: -4.672 local terms energy: -681.657641 where: bonds (distance) C4'-P energy: -121.088 bonds (distance) P-C4' energy: -134.253 flat angles C4'-P-C4' energy: -155.335 flat angles P-C4'-P energy: -95.843 tors. eta vs tors. theta energy: -175.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2132.797319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.797319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.797319 (E_RNA) where: Base-Base interactions energy: -1483.960 where: short stacking energy: -625.181 Base-Backbone interact. energy: 3.778 local terms energy: -652.615725 where: bonds (distance) C4'-P energy: -130.182 bonds (distance) P-C4' energy: -139.350 flat angles C4'-P-C4' energy: -136.330 flat angles P-C4'-P energy: -87.132 tors. eta vs tors. theta energy: -159.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1936.750172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.750172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.750172 (E_RNA) where: Base-Base interactions energy: -1368.433 where: short stacking energy: -550.048 Base-Backbone interact. energy: -3.400 local terms energy: -564.917318 where: bonds (distance) C4'-P energy: -117.590 bonds (distance) P-C4' energy: -113.293 flat angles C4'-P-C4' energy: -121.489 flat angles P-C4'-P energy: -75.966 tors. eta vs tors. theta energy: -136.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1845.939012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.939012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.939012 (E_RNA) where: Base-Base interactions energy: -1269.610 where: short stacking energy: -546.686 Base-Backbone interact. energy: -0.881 local terms energy: -575.448550 where: bonds (distance) C4'-P energy: -100.579 bonds (distance) P-C4' energy: -120.266 flat angles C4'-P-C4' energy: -127.389 flat angles P-C4'-P energy: -75.161 tors. eta vs tors. theta energy: -152.055 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: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1617.244024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.244024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.244024 (E_RNA) where: Base-Base interactions energy: -1106.016 where: short stacking energy: -484.730 Base-Backbone interact. energy: 3.792 local terms energy: -515.019687 where: bonds (distance) C4'-P energy: -98.289 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -139.854 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -96.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1491.717310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.717310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.717310 (E_RNA) where: Base-Base interactions energy: -994.260 where: short stacking energy: -424.468 Base-Backbone interact. energy: -0.155 local terms energy: -497.301875 where: bonds (distance) C4'-P energy: -97.424 bonds (distance) P-C4' energy: -131.461 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -77.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1414.991706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.991706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.991706 (E_RNA) where: Base-Base interactions energy: -940.464 where: short stacking energy: -413.556 Base-Backbone interact. energy: 5.079 local terms energy: -479.606808 where: bonds (distance) C4'-P energy: -85.664 bonds (distance) P-C4' energy: -126.693 flat angles C4'-P-C4' energy: -119.051 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -67.040 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: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -888.985140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.985140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.985140 (E_RNA) where: Base-Base interactions energy: -497.033 where: short stacking energy: -253.070 Base-Backbone interact. energy: 1.969 local terms energy: -393.921599 where: bonds (distance) C4'-P energy: -118.981 bonds (distance) P-C4' energy: -104.448 flat angles C4'-P-C4' energy: -100.961 flat angles P-C4'-P energy: -55.134 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: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2513.948922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.948922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.948922 (E_RNA) where: Base-Base interactions energy: -1757.540 where: short stacking energy: -779.620 Base-Backbone interact. energy: -3.379 local terms energy: -753.029967 where: bonds (distance) C4'-P energy: -134.981 bonds (distance) P-C4' energy: -141.090 flat angles C4'-P-C4' energy: -147.999 flat angles P-C4'-P energy: -108.027 tors. eta vs tors. theta energy: -220.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2309.235559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.235559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.235559 (E_RNA) where: Base-Base interactions energy: -1607.394 where: short stacking energy: -707.141 Base-Backbone interact. energy: -2.515 local terms energy: -699.353596 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -128.425 flat angles C4'-P-C4' energy: -145.660 flat angles P-C4'-P energy: -100.625 tors. eta vs tors. theta energy: -187.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.027 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2213.608239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.608239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.608239 (E_RNA) where: Base-Base interactions energy: -1555.514 where: short stacking energy: -644.177 Base-Backbone interact. energy: -3.771 local terms energy: -654.322811 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -97.906 tors. eta vs tors. theta energy: -168.630 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: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2166.277595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.277595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.277595 (E_RNA) where: Base-Base interactions energy: -1511.656 where: short stacking energy: -615.489 Base-Backbone interact. energy: 1.072 local terms energy: -655.692942 where: bonds (distance) C4'-P energy: -126.500 bonds (distance) P-C4' energy: -134.101 flat angles C4'-P-C4' energy: -148.575 flat angles P-C4'-P energy: -90.876 tors. eta vs tors. theta energy: -155.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1950.715330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.715330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.715330 (E_RNA) where: Base-Base interactions energy: -1334.523 where: short stacking energy: -544.468 Base-Backbone interact. energy: -2.375 local terms energy: -613.817365 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -132.047 flat angles C4'-P-C4' energy: -134.590 flat angles P-C4'-P energy: -87.660 tors. eta vs tors. theta energy: -136.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1858.439222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.439222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.439222 (E_RNA) where: Base-Base interactions energy: -1236.839 where: short stacking energy: -540.054 Base-Backbone interact. energy: -3.878 local terms energy: -617.722504 where: bonds (distance) C4'-P energy: -118.050 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -138.953 flat angles P-C4'-P energy: -83.679 tors. eta vs tors. theta energy: -144.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1623.173239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.173239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.173239 (E_RNA) where: Base-Base interactions energy: -1057.491 where: short stacking energy: -453.107 Base-Backbone interact. energy: 0.745 local terms energy: -566.427614 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -114.792 flat angles C4'-P-C4' energy: -133.052 flat angles P-C4'-P energy: -98.511 tors. eta vs tors. theta energy: -95.626 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: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1471.429355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.429355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.429355 (E_RNA) where: Base-Base interactions energy: -1028.208 where: short stacking energy: -430.779 Base-Backbone interact. energy: 3.089 local terms energy: -446.310290 where: bonds (distance) C4'-P energy: -97.413 bonds (distance) P-C4' energy: -107.517 flat angles C4'-P-C4' energy: -132.431 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -55.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1410.490909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.490909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.490909 (E_RNA) where: Base-Base interactions energy: -918.725 where: short stacking energy: -416.584 Base-Backbone interact. energy: 2.149 local terms energy: -493.914826 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -133.360 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -64.300 tors. eta vs tors. theta energy: -89.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -898.065386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.065386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.065386 (E_RNA) where: Base-Base interactions energy: -514.596 where: short stacking energy: -246.571 Base-Backbone interact. energy: 0.642 local terms energy: -384.111162 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -114.220 flat angles C4'-P-C4' energy: -86.617 flat angles P-C4'-P energy: -67.805 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2472.489941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.489941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.489941 (E_RNA) where: Base-Base interactions energy: -1736.140 where: short stacking energy: -744.777 Base-Backbone interact. energy: -1.438 local terms energy: -734.911192 where: bonds (distance) C4'-P energy: -120.806 bonds (distance) P-C4' energy: -138.794 flat angles C4'-P-C4' energy: -163.584 flat angles P-C4'-P energy: -96.810 tors. eta vs tors. theta energy: -214.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2281.393238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.393238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.393238 (E_RNA) where: Base-Base interactions energy: -1588.465 where: short stacking energy: -672.111 Base-Backbone interact. energy: -1.779 local terms energy: -691.148990 where: bonds (distance) C4'-P energy: -132.489 bonds (distance) P-C4' energy: -122.577 flat angles C4'-P-C4' energy: -145.467 flat angles P-C4'-P energy: -110.224 tors. eta vs tors. theta energy: -180.393 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: 91 Temperature: 1.000000 Total energy: -2248.785637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.785637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.785637 (E_RNA) where: Base-Base interactions energy: -1588.598 where: short stacking energy: -658.334 Base-Backbone interact. energy: 1.884 local terms energy: -662.071191 where: bonds (distance) C4'-P energy: -122.831 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -102.145 tors. eta vs tors. theta energy: -168.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2141.038935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.038935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.038935 (E_RNA) where: Base-Base interactions energy: -1470.319 where: short stacking energy: -610.166 Base-Backbone interact. energy: -3.905 local terms energy: -666.814780 where: bonds (distance) C4'-P energy: -126.847 bonds (distance) P-C4' energy: -144.772 flat angles C4'-P-C4' energy: -148.557 flat angles P-C4'-P energy: -78.199 tors. eta vs tors. theta energy: -168.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1977.088400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.088400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.088400 (E_RNA) where: Base-Base interactions energy: -1354.381 where: short stacking energy: -540.612 Base-Backbone interact. energy: -4.335 local terms energy: -618.373018 where: bonds (distance) C4'-P energy: -119.833 bonds (distance) P-C4' energy: -129.895 flat angles C4'-P-C4' energy: -140.390 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -143.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1839.378639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.378639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.378639 (E_RNA) where: Base-Base interactions energy: -1248.057 where: short stacking energy: -527.571 Base-Backbone interact. energy: 3.295 local terms energy: -594.616547 where: bonds (distance) C4'-P energy: -109.051 bonds (distance) P-C4' energy: -129.608 flat angles C4'-P-C4' energy: -128.723 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -127.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1620.986561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.986561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.986561 (E_RNA) where: Base-Base interactions energy: -1113.273 where: short stacking energy: -450.853 Base-Backbone interact. energy: -3.060 local terms energy: -504.652867 where: bonds (distance) C4'-P energy: -119.923 bonds (distance) P-C4' energy: -99.062 flat angles C4'-P-C4' energy: -124.512 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -80.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1427.652776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.652776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.652776 (E_RNA) where: Base-Base interactions energy: -951.585 where: short stacking energy: -414.022 Base-Backbone interact. energy: 1.241 local terms energy: -477.309643 where: bonds (distance) C4'-P energy: -110.280 bonds (distance) P-C4' energy: -114.574 flat angles C4'-P-C4' energy: -111.309 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: -70.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1394.935050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.935050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.935050 (E_RNA) where: Base-Base interactions energy: -910.348 where: short stacking energy: -400.480 Base-Backbone interact. energy: -0.932 local terms energy: -483.654277 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -123.930 flat angles P-C4'-P energy: -55.791 tors. eta vs tors. theta energy: -66.271 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: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -842.290807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.290807 (E_RNA) where: Base-Base interactions energy: -452.774 where: short stacking energy: -239.038 Base-Backbone interact. energy: 2.031 local terms energy: -391.547742 where: bonds (distance) C4'-P energy: -102.086 bonds (distance) P-C4' energy: -109.913 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -75.224 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2493.618878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.618878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.618878 (E_RNA) where: Base-Base interactions energy: -1728.427 where: short stacking energy: -741.191 Base-Backbone interact. energy: -5.107 local terms energy: -760.084812 where: bonds (distance) C4'-P energy: -140.628 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -161.458 flat angles P-C4'-P energy: -112.435 tors. eta vs tors. theta energy: -220.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2274.973763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.973763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.973763 (E_RNA) where: Base-Base interactions energy: -1570.253 where: short stacking energy: -672.586 Base-Backbone interact. energy: 0.539 local terms energy: -705.259922 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -127.303 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -102.997 tors. eta vs tors. theta energy: -181.861 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: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2211.059308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.059308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.059308 (E_RNA) where: Base-Base interactions energy: -1552.348 where: short stacking energy: -659.218 Base-Backbone interact. energy: -3.314 local terms energy: -655.397339 where: bonds (distance) C4'-P energy: -110.676 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -148.582 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -169.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2157.821696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.821696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.821696 (E_RNA) where: Base-Base interactions energy: -1475.636 where: short stacking energy: -635.854 Base-Backbone interact. energy: -2.768 local terms energy: -679.417513 where: bonds (distance) C4'-P energy: -128.273 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -138.831 flat angles P-C4'-P energy: -90.452 tors. eta vs tors. theta energy: -177.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1976.268018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.268018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.268018 (E_RNA) where: Base-Base interactions energy: -1374.503 where: short stacking energy: -545.606 Base-Backbone interact. energy: 0.430 local terms energy: -602.194694 where: bonds (distance) C4'-P energy: -123.935 bonds (distance) P-C4' energy: -127.736 flat angles C4'-P-C4' energy: -130.208 flat angles P-C4'-P energy: -86.441 tors. eta vs tors. theta energy: -133.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1806.342706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.342706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.342706 (E_RNA) where: Base-Base interactions energy: -1241.157 where: short stacking energy: -515.010 Base-Backbone interact. energy: -2.379 local terms energy: -562.806369 where: bonds (distance) C4'-P energy: -104.990 bonds (distance) P-C4' energy: -125.047 flat angles C4'-P-C4' energy: -129.217 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: -123.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1648.521009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.521009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.521009 (E_RNA) where: Base-Base interactions energy: -1098.916 where: short stacking energy: -465.013 Base-Backbone interact. energy: -2.960 local terms energy: -546.644897 where: bonds (distance) C4'-P energy: -125.701 bonds (distance) P-C4' energy: -125.837 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -85.574 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1514.203075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.203075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.203075 (E_RNA) where: Base-Base interactions energy: -1011.473 where: short stacking energy: -421.104 Base-Backbone interact. energy: 2.460 local terms energy: -505.190684 where: bonds (distance) C4'-P energy: -107.495 bonds (distance) P-C4' energy: -121.893 flat angles C4'-P-C4' energy: -126.062 flat angles P-C4'-P energy: -71.013 tors. eta vs tors. theta energy: -78.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1428.993132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.993132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.993132 (E_RNA) where: Base-Base interactions energy: -981.936 where: short stacking energy: -402.776 Base-Backbone interact. energy: -1.940 local terms energy: -445.116812 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -101.691 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -68.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -829.188509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.188509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.188509 (E_RNA) where: Base-Base interactions energy: -436.074 where: short stacking energy: -236.943 Base-Backbone interact. energy: 0.566 local terms energy: -393.680728 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -123.965 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: -6.600 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: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2492.694638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.694638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.694638 (E_RNA) where: Base-Base interactions energy: -1726.505 where: short stacking energy: -776.554 Base-Backbone interact. energy: -1.312 local terms energy: -764.877319 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -135.591 flat angles C4'-P-C4' energy: -160.178 flat angles P-C4'-P energy: -115.158 tors. eta vs tors. theta energy: -223.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2291.973629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.973629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.973629 (E_RNA) where: Base-Base interactions energy: -1589.662 where: short stacking energy: -676.717 Base-Backbone interact. energy: -2.918 local terms energy: -699.393988 where: bonds (distance) C4'-P energy: -147.984 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -144.733 flat angles P-C4'-P energy: -98.516 tors. eta vs tors. theta energy: -177.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2215.302234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.302234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.302234 (E_RNA) where: Base-Base interactions energy: -1529.240 where: short stacking energy: -660.286 Base-Backbone interact. energy: 2.730 local terms energy: -688.791892 where: bonds (distance) C4'-P energy: -128.873 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -169.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2141.657617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.657617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.657617 (E_RNA) where: Base-Base interactions energy: -1500.372 where: short stacking energy: -625.800 Base-Backbone interact. energy: -0.843 local terms energy: -640.443148 where: bonds (distance) C4'-P energy: -121.908 bonds (distance) P-C4' energy: -134.134 flat angles C4'-P-C4' energy: -141.944 flat angles P-C4'-P energy: -81.469 tors. eta vs tors. theta energy: -160.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1948.596440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.596440 (E_RNA) where: Base-Base interactions energy: -1336.254 where: short stacking energy: -577.144 Base-Backbone interact. energy: -4.017 local terms energy: -608.325290 where: bonds (distance) C4'-P energy: -132.134 bonds (distance) P-C4' energy: -127.051 flat angles C4'-P-C4' energy: -134.111 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -130.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1804.953490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.953490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.953490 (E_RNA) where: Base-Base interactions energy: -1251.925 where: short stacking energy: -515.662 Base-Backbone interact. energy: 1.881 local terms energy: -554.909002 where: bonds (distance) C4'-P energy: -104.530 bonds (distance) P-C4' energy: -142.230 flat angles C4'-P-C4' energy: -123.784 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -104.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1617.647450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.647450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.647450 (E_RNA) where: Base-Base interactions energy: -1123.618 where: short stacking energy: -469.429 Base-Backbone interact. energy: -1.629 local terms energy: -492.400258 where: bonds (distance) C4'-P energy: -98.213 bonds (distance) P-C4' energy: -130.150 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -59.231 tors. eta vs tors. theta energy: -96.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1503.611816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.611816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.611816 (E_RNA) where: Base-Base interactions energy: -994.556 where: short stacking energy: -443.805 Base-Backbone interact. energy: 2.542 local terms energy: -511.597431 where: bonds (distance) C4'-P energy: -108.418 bonds (distance) P-C4' energy: -113.304 flat angles C4'-P-C4' energy: -116.165 flat angles P-C4'-P energy: -84.309 tors. eta vs tors. theta energy: -89.403 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: 93 Temperature: 1.300000 Total energy: -1428.358565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.358565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.358565 (E_RNA) where: Base-Base interactions energy: -955.951 where: short stacking energy: -414.090 Base-Backbone interact. energy: -1.747 local terms energy: -470.661023 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -102.283 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -70.577 tors. eta vs tors. theta energy: -75.748 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: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -824.666163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.666163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.666163 (E_RNA) where: Base-Base interactions energy: -437.668 where: short stacking energy: -249.630 Base-Backbone interact. energy: -4.764 local terms energy: -382.233984 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -100.504 flat angles P-C4'-P energy: -71.558 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2475.611381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.611381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.611381 (E_RNA) where: Base-Base interactions energy: -1712.199 where: short stacking energy: -769.007 Base-Backbone interact. energy: -2.951 local terms energy: -760.461725 where: bonds (distance) C4'-P energy: -149.370 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -162.331 flat angles P-C4'-P energy: -107.371 tors. eta vs tors. theta energy: -214.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2271.994410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.994410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.994410 (E_RNA) where: Base-Base interactions energy: -1620.667 where: short stacking energy: -666.280 Base-Backbone interact. energy: 1.506 local terms energy: -652.833476 where: bonds (distance) C4'-P energy: -134.507 bonds (distance) P-C4' energy: -112.264 flat angles C4'-P-C4' energy: -150.426 flat angles P-C4'-P energy: -93.933 tors. eta vs tors. theta energy: -161.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2238.846094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.846094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.846094 (E_RNA) where: Base-Base interactions energy: -1551.913 where: short stacking energy: -671.778 Base-Backbone interact. energy: -2.971 local terms energy: -683.961438 where: bonds (distance) C4'-P energy: -141.829 bonds (distance) P-C4' energy: -129.170 flat angles C4'-P-C4' energy: -147.329 flat angles P-C4'-P energy: -97.477 tors. eta vs tors. theta energy: -168.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2109.955983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.955983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.955983 (E_RNA) where: Base-Base interactions energy: -1478.465 where: short stacking energy: -620.554 Base-Backbone interact. energy: -1.061 local terms energy: -630.429113 where: bonds (distance) C4'-P energy: -138.123 bonds (distance) P-C4' energy: -123.395 flat angles C4'-P-C4' energy: -132.654 flat angles P-C4'-P energy: -96.053 tors. eta vs tors. theta energy: -140.204 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: 94 Temperature: 1.100000 Total energy: -1964.887985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.887985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.887985 (E_RNA) where: Base-Base interactions energy: -1387.736 where: short stacking energy: -557.919 Base-Backbone interact. energy: -0.802 local terms energy: -576.350597 where: bonds (distance) C4'-P energy: -108.443 bonds (distance) P-C4' energy: -117.942 flat angles C4'-P-C4' energy: -123.525 flat angles P-C4'-P energy: -90.244 tors. eta vs tors. theta energy: -136.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1813.553459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.553459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.553459 (E_RNA) where: Base-Base interactions energy: -1230.814 where: short stacking energy: -532.789 Base-Backbone interact. energy: -2.286 local terms energy: -580.453420 where: bonds (distance) C4'-P energy: -120.764 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -126.767 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -119.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1612.458732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.458732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.458732 (E_RNA) where: Base-Base interactions energy: -1090.221 where: short stacking energy: -452.854 Base-Backbone interact. energy: 4.369 local terms energy: -527.283085 where: bonds (distance) C4'-P energy: -106.787 bonds (distance) P-C4' energy: -123.605 flat angles C4'-P-C4' energy: -121.396 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -103.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.676 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1510.944440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.944440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.944440 (E_RNA) where: Base-Base interactions energy: -998.754 where: short stacking energy: -448.888 Base-Backbone interact. energy: -5.165 local terms energy: -507.025305 where: bonds (distance) C4'-P energy: -104.898 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -123.168 flat angles P-C4'-P energy: -69.185 tors. eta vs tors. theta energy: -90.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1498.406695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.406695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.406695 (E_RNA) where: Base-Base interactions energy: -987.824 where: short stacking energy: -437.138 Base-Backbone interact. energy: -2.545 local terms energy: -508.037655 where: bonds (distance) C4'-P energy: -109.607 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -119.267 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: -96.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -799.671978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.671978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.671978 (E_RNA) where: Base-Base interactions energy: -421.966 where: short stacking energy: -243.798 Base-Backbone interact. energy: 0.843 local terms energy: -378.549001 where: bonds (distance) C4'-P energy: -104.205 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -93.160 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2487.938748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.938748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.938748 (E_RNA) where: Base-Base interactions energy: -1731.527 where: short stacking energy: -779.950 Base-Backbone interact. energy: -1.979 local terms energy: -754.432724 where: bonds (distance) C4'-P energy: -135.363 bonds (distance) P-C4' energy: -130.972 flat angles C4'-P-C4' energy: -166.167 flat angles P-C4'-P energy: -100.813 tors. eta vs tors. theta energy: -221.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2254.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.577248 (E_RNA) where: Base-Base interactions energy: -1563.351 where: short stacking energy: -676.304 Base-Backbone interact. energy: -4.142 local terms energy: -687.083970 where: bonds (distance) C4'-P energy: -136.539 bonds (distance) P-C4' energy: -128.944 flat angles C4'-P-C4' energy: -138.171 flat angles P-C4'-P energy: -109.219 tors. eta vs tors. theta energy: -174.210 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: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2239.406714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.406714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.406714 (E_RNA) where: Base-Base interactions energy: -1555.429 where: short stacking energy: -653.860 Base-Backbone interact. energy: -2.898 local terms energy: -681.079382 where: bonds (distance) C4'-P energy: -136.383 bonds (distance) P-C4' energy: -143.824 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -90.303 tors. eta vs tors. theta energy: -166.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2119.515342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.515342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.515342 (E_RNA) where: Base-Base interactions energy: -1478.516 where: short stacking energy: -641.788 Base-Backbone interact. energy: -3.991 local terms energy: -637.008508 where: bonds (distance) C4'-P energy: -120.854 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -141.933 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -153.931 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: 95 Temperature: 1.100000 Total energy: -2002.871005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.871005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.871005 (E_RNA) where: Base-Base interactions energy: -1405.266 where: short stacking energy: -590.527 Base-Backbone interact. energy: -2.527 local terms energy: -595.078664 where: bonds (distance) C4'-P energy: -113.048 bonds (distance) P-C4' energy: -132.841 flat angles C4'-P-C4' energy: -119.206 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -151.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1825.084656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.084656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.084656 (E_RNA) where: Base-Base interactions energy: -1226.262 where: short stacking energy: -530.797 Base-Backbone interact. energy: -2.482 local terms energy: -596.340676 where: bonds (distance) C4'-P energy: -107.276 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -126.449 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -138.502 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: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1606.295838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.295838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.295838 (E_RNA) where: Base-Base interactions energy: -1087.362 where: short stacking energy: -476.761 Base-Backbone interact. energy: 6.043 local terms energy: -524.976570 where: bonds (distance) C4'-P energy: -112.072 bonds (distance) P-C4' energy: -123.253 flat angles C4'-P-C4' energy: -114.492 flat angles P-C4'-P energy: -87.447 tors. eta vs tors. theta energy: -87.712 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1559.512655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.512655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.512655 (E_RNA) where: Base-Base interactions energy: -1060.476 where: short stacking energy: -459.893 Base-Backbone interact. energy: -0.753 local terms energy: -498.283101 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -122.041 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -90.049 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: 95 Temperature: 1.300000 Total energy: -1384.708204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.708204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.708204 (E_RNA) where: Base-Base interactions energy: -897.053 where: short stacking energy: -410.465 Base-Backbone interact. energy: -1.344 local terms energy: -486.310744 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -107.513 flat angles C4'-P-C4' energy: -117.970 flat angles P-C4'-P energy: -69.932 tors. eta vs tors. theta energy: -83.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -802.986414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.986414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.986414 (E_RNA) where: Base-Base interactions energy: -415.984 where: short stacking energy: -240.181 Base-Backbone interact. energy: 2.588 local terms energy: -389.591006 where: bonds (distance) C4'-P energy: -106.800 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -57.344 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: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2480.261353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.261353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.261353 (E_RNA) where: Base-Base interactions energy: -1702.627 where: short stacking energy: -764.611 Base-Backbone interact. energy: -3.297 local terms energy: -774.337080 where: bonds (distance) C4'-P energy: -135.484 bonds (distance) P-C4' energy: -136.418 flat angles C4'-P-C4' energy: -159.560 flat angles P-C4'-P energy: -113.280 tors. eta vs tors. theta energy: -229.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2262.323096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.323096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.323096 (E_RNA) where: Base-Base interactions energy: -1572.935 where: short stacking energy: -672.425 Base-Backbone interact. energy: 1.416 local terms energy: -690.803962 where: bonds (distance) C4'-P energy: -132.677 bonds (distance) P-C4' energy: -138.100 flat angles C4'-P-C4' energy: -145.825 flat angles P-C4'-P energy: -102.055 tors. eta vs tors. theta energy: -172.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2227.981069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.981069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.981069 (E_RNA) where: Base-Base interactions energy: -1562.413 where: short stacking energy: -653.772 Base-Backbone interact. energy: -2.462 local terms energy: -663.106550 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -144.757 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -173.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2126.595294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.595294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.595294 (E_RNA) where: Base-Base interactions energy: -1493.093 where: short stacking energy: -641.638 Base-Backbone interact. energy: -3.352 local terms energy: -630.150738 where: bonds (distance) C4'-P energy: -101.254 bonds (distance) P-C4' energy: -125.490 flat angles C4'-P-C4' energy: -148.533 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -169.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1968.199011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.199011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.199011 (E_RNA) where: Base-Base interactions energy: -1355.402 where: short stacking energy: -550.725 Base-Backbone interact. energy: -1.462 local terms energy: -611.334743 where: bonds (distance) C4'-P energy: -119.921 bonds (distance) P-C4' energy: -130.517 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -82.809 tors. eta vs tors. theta energy: -145.813 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: 96 Temperature: 1.150000 Total energy: -1832.716734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.716734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.716734 (E_RNA) where: Base-Base interactions energy: -1230.978 where: short stacking energy: -544.323 Base-Backbone interact. energy: -3.848 local terms energy: -597.890949 where: bonds (distance) C4'-P energy: -108.512 bonds (distance) P-C4' energy: -136.042 flat angles C4'-P-C4' energy: -134.539 flat angles P-C4'-P energy: -92.713 tors. eta vs tors. theta energy: -126.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1616.379054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.379054 (E_RNA) where: Base-Base interactions energy: -1109.200 where: short stacking energy: -484.171 Base-Backbone interact. energy: 0.316 local terms energy: -507.494311 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -112.775 flat angles C4'-P-C4' energy: -122.782 flat angles P-C4'-P energy: -60.632 tors. eta vs tors. theta energy: -112.522 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1571.605700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.605700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.605700 (E_RNA) where: Base-Base interactions energy: -1056.032 where: short stacking energy: -485.202 Base-Backbone interact. energy: -3.269 local terms energy: -512.304538 where: bonds (distance) C4'-P energy: -111.876 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -64.301 tors. eta vs tors. theta energy: -101.355 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: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1395.064176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.064176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.064176 (E_RNA) where: Base-Base interactions energy: -906.650 where: short stacking energy: -409.291 Base-Backbone interact. energy: 5.895 local terms energy: -494.310035 where: bonds (distance) C4'-P energy: -126.460 bonds (distance) P-C4' energy: -117.150 flat angles C4'-P-C4' energy: -110.958 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -84.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -763.132327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.132327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.132327 (E_RNA) where: Base-Base interactions energy: -404.928 where: short stacking energy: -236.766 Base-Backbone interact. energy: -3.125 local terms energy: -355.079889 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -92.872 flat angles P-C4'-P energy: -40.129 tors. eta vs tors. theta energy: 10.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2487.131211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.131211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.131211 (E_RNA) where: Base-Base interactions energy: -1723.583 where: short stacking energy: -782.785 Base-Backbone interact. energy: -1.165 local terms energy: -762.382681 where: bonds (distance) C4'-P energy: -134.099 bonds (distance) P-C4' energy: -140.714 flat angles C4'-P-C4' energy: -159.941 flat angles P-C4'-P energy: -112.482 tors. eta vs tors. theta energy: -215.146 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: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2251.086787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.086787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.086787 (E_RNA) where: Base-Base interactions energy: -1566.628 where: short stacking energy: -667.662 Base-Backbone interact. energy: 1.161 local terms energy: -685.620177 where: bonds (distance) C4'-P energy: -117.865 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -148.595 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -166.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2265.671111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.671111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.671111 (E_RNA) where: Base-Base interactions energy: -1585.277 where: short stacking energy: -688.241 Base-Backbone interact. energy: -3.993 local terms energy: -676.400797 where: bonds (distance) C4'-P energy: -124.906 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -143.351 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -184.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2118.049008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.049008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.049008 (E_RNA) where: Base-Base interactions energy: -1503.070 where: short stacking energy: -619.327 Base-Backbone interact. energy: -3.846 local terms energy: -611.133227 where: bonds (distance) C4'-P energy: -94.567 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -133.584 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -158.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2089.545884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.545884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.545884 (E_RNA) where: Base-Base interactions energy: -1450.310 where: short stacking energy: -616.589 Base-Backbone interact. energy: -1.265 local terms energy: -637.970493 where: bonds (distance) C4'-P energy: -129.061 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -133.605 flat angles P-C4'-P energy: -81.505 tors. eta vs tors. theta energy: -160.857 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: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1882.644772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.644772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.644772 (E_RNA) where: Base-Base interactions energy: -1280.262 where: short stacking energy: -554.619 Base-Backbone interact. energy: 2.869 local terms energy: -605.251313 where: bonds (distance) C4'-P energy: -134.608 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -130.567 flat angles P-C4'-P energy: -78.321 tors. eta vs tors. theta energy: -137.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1617.613065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.613065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.613065 (E_RNA) where: Base-Base interactions energy: -1101.529 where: short stacking energy: -458.945 Base-Backbone interact. energy: 4.293 local terms energy: -520.377496 where: bonds (distance) C4'-P energy: -117.974 bonds (distance) P-C4' energy: -130.480 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -64.737 tors. eta vs tors. theta energy: -88.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1548.822613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.822613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.822613 (E_RNA) where: Base-Base interactions energy: -1046.252 where: short stacking energy: -450.214 Base-Backbone interact. energy: -2.455 local terms energy: -500.115164 where: bonds (distance) C4'-P energy: -107.206 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -125.109 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -86.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1408.617950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.617950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.617950 (E_RNA) where: Base-Base interactions energy: -912.793 where: short stacking energy: -373.889 Base-Backbone interact. energy: -2.827 local terms energy: -492.998243 where: bonds (distance) C4'-P energy: -103.604 bonds (distance) P-C4' energy: -128.556 flat angles C4'-P-C4' energy: -114.437 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -72.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -774.630477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.630477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.630477 (E_RNA) where: Base-Base interactions energy: -400.512 where: short stacking energy: -233.778 Base-Backbone interact. energy: -0.157 local terms energy: -373.962043 where: bonds (distance) C4'-P energy: -101.240 bonds (distance) P-C4' energy: -98.194 flat angles C4'-P-C4' energy: -101.613 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2516.996537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.996537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.996537 (E_RNA) where: Base-Base interactions energy: -1730.105 where: short stacking energy: -778.306 Base-Backbone interact. energy: -2.377 local terms energy: -784.514778 where: bonds (distance) C4'-P energy: -141.068 bonds (distance) P-C4' energy: -150.544 flat angles C4'-P-C4' energy: -164.794 flat angles P-C4'-P energy: -108.098 tors. eta vs tors. theta energy: -220.011 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: 98 Temperature: 0.950000 Total energy: -2296.383937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.383937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.383937 (E_RNA) where: Base-Base interactions energy: -1630.032 where: short stacking energy: -670.012 Base-Backbone interact. energy: -2.840 local terms energy: -663.512742 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -115.625 flat angles C4'-P-C4' energy: -153.307 flat angles P-C4'-P energy: -96.210 tors. eta vs tors. theta energy: -167.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2211.988048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.988048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.988048 (E_RNA) where: Base-Base interactions energy: -1548.803 where: short stacking energy: -643.581 Base-Backbone interact. energy: -2.916 local terms energy: -660.269687 where: bonds (distance) C4'-P energy: -123.298 bonds (distance) P-C4' energy: -138.022 flat angles C4'-P-C4' energy: -138.481 flat angles P-C4'-P energy: -92.411 tors. eta vs tors. theta energy: -168.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2058.169415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.169415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.169415 (E_RNA) where: Base-Base interactions energy: -1428.705 where: short stacking energy: -600.329 Base-Backbone interact. energy: -1.827 local terms energy: -627.637531 where: bonds (distance) C4'-P energy: -118.356 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -139.827 flat angles P-C4'-P energy: -78.756 tors. eta vs tors. theta energy: -147.508 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: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2068.841667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.841667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.841667 (E_RNA) where: Base-Base interactions energy: -1446.250 where: short stacking energy: -596.661 Base-Backbone interact. energy: -2.036 local terms energy: -620.555640 where: bonds (distance) C4'-P energy: -114.670 bonds (distance) P-C4' energy: -139.813 flat angles C4'-P-C4' energy: -121.245 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -151.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1872.281161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.281161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.281161 (E_RNA) where: Base-Base interactions energy: -1272.678 where: short stacking energy: -565.171 Base-Backbone interact. energy: 0.512 local terms energy: -600.115100 where: bonds (distance) C4'-P energy: -119.185 bonds (distance) P-C4' energy: -110.397 flat angles C4'-P-C4' energy: -137.654 flat angles P-C4'-P energy: -87.489 tors. eta vs tors. theta energy: -145.391 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1633.919746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.919746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.919746 (E_RNA) where: Base-Base interactions energy: -1093.716 where: short stacking energy: -479.674 Base-Backbone interact. energy: -2.176 local terms energy: -538.027890 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -106.280 flat angles C4'-P-C4' energy: -128.726 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -107.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1548.454455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.454455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.454455 (E_RNA) where: Base-Base interactions energy: -1056.909 where: short stacking energy: -430.174 Base-Backbone interact. energy: -2.294 local terms energy: -489.251376 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -111.612 flat angles C4'-P-C4' energy: -126.016 flat angles P-C4'-P energy: -50.076 tors. eta vs tors. theta energy: -91.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1280.241282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.241282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.241282 (E_RNA) where: Base-Base interactions energy: -844.710 where: short stacking energy: -383.757 Base-Backbone interact. energy: -0.409 local terms energy: -435.121945 where: bonds (distance) C4'-P energy: -95.502 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -124.382 flat angles P-C4'-P energy: -58.347 tors. eta vs tors. theta energy: -59.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -814.911931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.911931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.911931 (E_RNA) where: Base-Base interactions energy: -452.398 where: short stacking energy: -247.073 Base-Backbone interact. energy: -1.170 local terms energy: -361.344459 where: bonds (distance) C4'-P energy: -103.457 bonds (distance) P-C4' energy: -100.768 flat angles C4'-P-C4' energy: -90.818 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: 1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2493.071149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.071149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.071149 (E_RNA) where: Base-Base interactions energy: -1729.345 where: short stacking energy: -759.510 Base-Backbone interact. energy: -1.583 local terms energy: -762.143104 where: bonds (distance) C4'-P energy: -122.614 bonds (distance) P-C4' energy: -135.608 flat angles C4'-P-C4' energy: -163.958 flat angles P-C4'-P energy: -120.664 tors. eta vs tors. theta energy: -219.299 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: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2284.682598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.682598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.682598 (E_RNA) where: Base-Base interactions energy: -1592.378 where: short stacking energy: -651.268 Base-Backbone interact. energy: -3.314 local terms energy: -688.990312 where: bonds (distance) C4'-P energy: -142.465 bonds (distance) P-C4' energy: -124.146 flat angles C4'-P-C4' energy: -152.630 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -173.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2205.226747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.226747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.226747 (E_RNA) where: Base-Base interactions energy: -1535.486 where: short stacking energy: -660.629 Base-Backbone interact. energy: 0.452 local terms energy: -670.681380 where: bonds (distance) C4'-P energy: -115.358 bonds (distance) P-C4' energy: -142.452 flat angles C4'-P-C4' energy: -147.478 flat angles P-C4'-P energy: -100.631 tors. eta vs tors. theta energy: -164.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.488 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2121.313945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.313945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.313945 (E_RNA) where: Base-Base interactions energy: -1467.782 where: short stacking energy: -640.492 Base-Backbone interact. energy: -2.567 local terms energy: -650.964868 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -132.465 flat angles C4'-P-C4' energy: -134.625 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -158.201 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: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2055.046512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.046512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.046512 (E_RNA) where: Base-Base interactions energy: -1424.150 where: short stacking energy: -580.932 Base-Backbone interact. energy: -2.512 local terms energy: -628.384697 where: bonds (distance) C4'-P energy: -111.461 bonds (distance) P-C4' energy: -132.843 flat angles C4'-P-C4' energy: -125.834 flat angles P-C4'-P energy: -97.562 tors. eta vs tors. theta energy: -160.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1841.038477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.038477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.038477 (E_RNA) where: Base-Base interactions energy: -1275.674 where: short stacking energy: -529.939 Base-Backbone interact. energy: -4.050 local terms energy: -561.315332 where: bonds (distance) C4'-P energy: -109.128 bonds (distance) P-C4' energy: -127.906 flat angles C4'-P-C4' energy: -120.222 flat angles P-C4'-P energy: -82.307 tors. eta vs tors. theta energy: -121.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1699.833839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.833839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.833839 (E_RNA) where: Base-Base interactions energy: -1167.442 where: short stacking energy: -537.902 Base-Backbone interact. energy: -1.211 local terms energy: -531.180636 where: bonds (distance) C4'-P energy: -97.202 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -124.154 flat angles P-C4'-P energy: -76.418 tors. eta vs tors. theta energy: -119.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1582.689527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.689527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.689527 (E_RNA) where: Base-Base interactions energy: -1076.262 where: short stacking energy: -451.086 Base-Backbone interact. energy: -3.526 local terms energy: -502.900953 where: bonds (distance) C4'-P energy: -103.887 bonds (distance) P-C4' energy: -109.793 flat angles C4'-P-C4' energy: -123.710 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -92.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1395.180337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.180337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.180337 (E_RNA) where: Base-Base interactions energy: -921.065 where: short stacking energy: -392.945 Base-Backbone interact. energy: 5.343 local terms energy: -479.458359 where: bonds (distance) C4'-P energy: -109.013 bonds (distance) P-C4' energy: -128.266 flat angles C4'-P-C4' energy: -128.435 flat angles P-C4'-P energy: -59.790 tors. eta vs tors. theta energy: -53.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -794.563210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.563210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.563210 (E_RNA) where: Base-Base interactions energy: -398.194 where: short stacking energy: -219.242 Base-Backbone interact. energy: 8.690 local terms energy: -405.058481 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -123.404 flat angles C4'-P-C4' energy: -100.060 flat angles P-C4'-P energy: -62.319 tors. eta vs tors. theta energy: -7.849 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: 100 Temperature: 0.900000 Total energy: -2469.949772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.949772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.949772 (E_RNA) where: Base-Base interactions energy: -1713.050 where: short stacking energy: -770.548 Base-Backbone interact. energy: -3.558 local terms energy: -753.341362 where: bonds (distance) C4'-P energy: -129.356 bonds (distance) P-C4' energy: -138.160 flat angles C4'-P-C4' energy: -155.623 flat angles P-C4'-P energy: -105.689 tors. eta vs tors. theta energy: -224.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2348.515761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.515761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.515761 (E_RNA) where: Base-Base interactions energy: -1633.222 where: short stacking energy: -679.704 Base-Backbone interact. energy: -5.751 local terms energy: -709.543182 where: bonds (distance) C4'-P energy: -116.791 bonds (distance) P-C4' energy: -151.549 flat angles C4'-P-C4' energy: -156.474 flat angles P-C4'-P energy: -94.568 tors. eta vs tors. theta energy: -190.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2203.490252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.490252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.490252 (E_RNA) where: Base-Base interactions energy: -1525.645 where: short stacking energy: -656.999 Base-Backbone interact. energy: -1.033 local terms energy: -676.812340 where: bonds (distance) C4'-P energy: -149.712 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -101.530 tors. eta vs tors. theta energy: -167.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2106.693979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.693979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.693979 (E_RNA) where: Base-Base interactions energy: -1456.708 where: short stacking energy: -623.537 Base-Backbone interact. energy: -4.880 local terms energy: -645.106364 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -127.796 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -77.159 tors. eta vs tors. theta energy: -166.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2026.863466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.863466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.863466 (E_RNA) where: Base-Base interactions energy: -1402.783 where: short stacking energy: -579.764 Base-Backbone interact. energy: -2.867 local terms energy: -621.213779 where: bonds (distance) C4'-P energy: -132.261 bonds (distance) P-C4' energy: -119.741 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -84.259 tors. eta vs tors. theta energy: -157.275 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: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1801.499825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.499825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.499825 (E_RNA) where: Base-Base interactions energy: -1199.191 where: short stacking energy: -544.582 Base-Backbone interact. energy: -4.511 local terms energy: -597.796934 where: bonds (distance) C4'-P energy: -127.138 bonds (distance) P-C4' energy: -119.463 flat angles C4'-P-C4' energy: -132.125 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: -137.302 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: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1707.511544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.511544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.511544 (E_RNA) where: Base-Base interactions energy: -1126.084 where: short stacking energy: -493.442 Base-Backbone interact. energy: 0.609 local terms energy: -582.037021 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -135.704 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -76.824 tors. eta vs tors. theta energy: -110.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1606.853666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.853666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.853666 (E_RNA) where: Base-Base interactions energy: -1082.713 where: short stacking energy: -453.169 Base-Backbone interact. energy: -2.323 local terms energy: -521.817709 where: bonds (distance) C4'-P energy: -112.256 bonds (distance) P-C4' energy: -108.506 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -80.915 tors. eta vs tors. theta energy: -96.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1357.009723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.009723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.009723 (E_RNA) where: Base-Base interactions energy: -884.688 where: short stacking energy: -379.990 Base-Backbone interact. energy: -1.311 local terms energy: -471.010255 where: bonds (distance) C4'-P energy: -115.726 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -105.512 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -38.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -848.740327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.740327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.740327 (E_RNA) where: Base-Base interactions energy: -455.907 where: short stacking energy: -253.603 Base-Backbone interact. energy: -5.247 local terms energy: -387.585707 where: bonds (distance) C4'-P energy: -114.509 bonds (distance) P-C4' energy: -98.994 flat angles C4'-P-C4' energy: -90.055 flat angles P-C4'-P energy: -71.049 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: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2470.280938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.280938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.280938 (E_RNA) where: Base-Base interactions energy: -1717.020 where: short stacking energy: -767.179 Base-Backbone interact. energy: -2.019 local terms energy: -751.242244 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -137.015 flat angles C4'-P-C4' energy: -158.623 flat angles P-C4'-P energy: -114.239 tors. eta vs tors. theta energy: -219.456 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: 101 Temperature: 0.950000 Total energy: -2297.275059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.275059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.275059 (E_RNA) where: Base-Base interactions energy: -1602.509 where: short stacking energy: -658.508 Base-Backbone interact. energy: -2.843 local terms energy: -691.923749 where: bonds (distance) C4'-P energy: -148.300 bonds (distance) P-C4' energy: -137.349 flat angles C4'-P-C4' energy: -141.829 flat angles P-C4'-P energy: -91.672 tors. eta vs tors. theta energy: -172.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2220.752316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.752316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.752316 (E_RNA) where: Base-Base interactions energy: -1533.514 where: short stacking energy: -652.640 Base-Backbone interact. energy: -4.099 local terms energy: -688.378508 where: bonds (distance) C4'-P energy: -141.919 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -99.642 tors. eta vs tors. theta energy: -172.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 5.240 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2106.009927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.009927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.009927 (E_RNA) where: Base-Base interactions energy: -1465.898 where: short stacking energy: -630.930 Base-Backbone interact. energy: 0.494 local terms energy: -640.605044 where: bonds (distance) C4'-P energy: -124.306 bonds (distance) P-C4' energy: -117.718 flat angles C4'-P-C4' energy: -141.569 flat angles P-C4'-P energy: -94.977 tors. eta vs tors. theta energy: -162.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2047.747496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.747496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.747496 (E_RNA) where: Base-Base interactions energy: -1424.808 where: short stacking energy: -617.617 Base-Backbone interact. energy: -2.037 local terms energy: -620.902690 where: bonds (distance) C4'-P energy: -115.069 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -137.568 flat angles P-C4'-P energy: -78.417 tors. eta vs tors. theta energy: -160.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1835.475671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.475671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.475671 (E_RNA) where: Base-Base interactions energy: -1241.434 where: short stacking energy: -552.459 Base-Backbone interact. energy: 3.449 local terms energy: -597.490590 where: bonds (distance) C4'-P energy: -117.614 bonds (distance) P-C4' energy: -134.697 flat angles C4'-P-C4' energy: -136.939 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -140.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1662.603724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.603724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.603724 (E_RNA) where: Base-Base interactions energy: -1114.526 where: short stacking energy: -513.523 Base-Backbone interact. energy: -1.563 local terms energy: -546.514978 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -128.487 flat angles C4'-P-C4' energy: -127.814 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -111.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1628.961831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.961831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.961831 (E_RNA) where: Base-Base interactions energy: -1119.013 where: short stacking energy: -474.543 Base-Backbone interact. energy: 1.496 local terms energy: -511.445072 where: bonds (distance) C4'-P energy: -108.695 bonds (distance) P-C4' energy: -128.156 flat angles C4'-P-C4' energy: -106.630 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -104.760 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: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1368.391987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.391987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.391987 (E_RNA) where: Base-Base interactions energy: -938.813 where: short stacking energy: -403.253 Base-Backbone interact. energy: -3.929 local terms energy: -425.650540 where: bonds (distance) C4'-P energy: -104.699 bonds (distance) P-C4' energy: -99.792 flat angles C4'-P-C4' energy: -92.670 flat angles P-C4'-P energy: -62.369 tors. eta vs tors. theta energy: -66.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -874.445857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.445857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.445857 (E_RNA) where: Base-Base interactions energy: -492.431 where: short stacking energy: -264.336 Base-Backbone interact. energy: 2.313 local terms energy: -384.327468 where: bonds (distance) C4'-P energy: -97.966 bonds (distance) P-C4' energy: -113.890 flat angles C4'-P-C4' energy: -86.860 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -17.137 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: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2438.843914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.843914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.843914 (E_RNA) where: Base-Base interactions energy: -1709.731 where: short stacking energy: -776.533 Base-Backbone interact. energy: -0.159 local terms energy: -728.954401 where: bonds (distance) C4'-P energy: -109.646 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -158.471 flat angles P-C4'-P energy: -104.547 tors. eta vs tors. theta energy: -211.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2301.658398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.658398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.658398 (E_RNA) where: Base-Base interactions energy: -1618.655 where: short stacking energy: -670.867 Base-Backbone interact. energy: -4.101 local terms energy: -678.903330 where: bonds (distance) C4'-P energy: -117.062 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -151.968 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -172.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2182.916988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.916988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.916988 (E_RNA) where: Base-Base interactions energy: -1504.815 where: short stacking energy: -666.673 Base-Backbone interact. energy: -2.549 local terms energy: -675.552939 where: bonds (distance) C4'-P energy: -127.835 bonds (distance) P-C4' energy: -126.762 flat angles C4'-P-C4' energy: -147.396 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -171.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2102.628567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.628567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.628567 (E_RNA) where: Base-Base interactions energy: -1465.644 where: short stacking energy: -622.036 Base-Backbone interact. energy: -2.117 local terms energy: -634.868134 where: bonds (distance) C4'-P energy: -122.888 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -92.660 tors. eta vs tors. theta energy: -156.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2008.768552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.768552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.768552 (E_RNA) where: Base-Base interactions energy: -1434.826 where: short stacking energy: -588.116 Base-Backbone interact. energy: -1.749 local terms energy: -572.193673 where: bonds (distance) C4'-P energy: -105.373 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -140.385 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -130.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1861.994559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.994559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.994559 (E_RNA) where: Base-Base interactions energy: -1272.742 where: short stacking energy: -539.149 Base-Backbone interact. energy: 2.487 local terms energy: -591.738900 where: bonds (distance) C4'-P energy: -117.652 bonds (distance) P-C4' energy: -112.541 flat angles C4'-P-C4' energy: -132.951 flat angles P-C4'-P energy: -90.184 tors. eta vs tors. theta energy: -138.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1614.315681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.315681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.315681 (E_RNA) where: Base-Base interactions energy: -1096.010 where: short stacking energy: -495.534 Base-Backbone interact. energy: 8.333 local terms energy: -526.638549 where: bonds (distance) C4'-P energy: -111.062 bonds (distance) P-C4' energy: -111.351 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -75.592 tors. eta vs tors. theta energy: -101.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1554.326785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.326785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.326785 (E_RNA) where: Base-Base interactions energy: -1038.526 where: short stacking energy: -458.629 Base-Backbone interact. energy: -3.212 local terms energy: -512.588815 where: bonds (distance) C4'-P energy: -113.373 bonds (distance) P-C4' energy: -117.314 flat angles C4'-P-C4' energy: -101.623 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -103.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1349.021288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.021288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.021288 (E_RNA) where: Base-Base interactions energy: -862.781 where: short stacking energy: -374.072 Base-Backbone interact. energy: -0.657 local terms energy: -485.582624 where: bonds (distance) C4'-P energy: -103.136 bonds (distance) P-C4' energy: -102.163 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -86.352 tors. eta vs tors. theta energy: -59.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -908.626667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.626667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.626667 (E_RNA) where: Base-Base interactions energy: -534.067 where: short stacking energy: -264.670 Base-Backbone interact. energy: 4.053 local terms energy: -378.612784 where: bonds (distance) C4'-P energy: -109.676 bonds (distance) P-C4' energy: -101.057 flat angles C4'-P-C4' energy: -86.367 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: -28.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2495.866518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.866518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.866518 (E_RNA) where: Base-Base interactions energy: -1731.675 where: short stacking energy: -769.230 Base-Backbone interact. energy: -4.634 local terms energy: -759.557361 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -148.896 flat angles C4'-P-C4' energy: -153.854 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -222.998 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: 103 Temperature: 0.950000 Total energy: -2287.488706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.488706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.488706 (E_RNA) where: Base-Base interactions energy: -1611.524 where: short stacking energy: -691.610 Base-Backbone interact. energy: -2.495 local terms energy: -673.469625 where: bonds (distance) C4'-P energy: -117.978 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -153.570 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -179.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2144.965591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.965591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.965591 (E_RNA) where: Base-Base interactions energy: -1463.272 where: short stacking energy: -651.768 Base-Backbone interact. energy: -5.590 local terms energy: -676.103971 where: bonds (distance) C4'-P energy: -126.182 bonds (distance) P-C4' energy: -133.827 flat angles C4'-P-C4' energy: -159.087 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -157.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2113.509254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.509254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.509254 (E_RNA) where: Base-Base interactions energy: -1483.883 where: short stacking energy: -620.832 Base-Backbone interact. energy: -3.870 local terms energy: -625.756682 where: bonds (distance) C4'-P energy: -120.331 bonds (distance) P-C4' energy: -113.550 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -87.576 tors. eta vs tors. theta energy: -162.567 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: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1996.000479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.000479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.000479 (E_RNA) where: Base-Base interactions energy: -1415.052 where: short stacking energy: -598.354 Base-Backbone interact. energy: 3.666 local terms energy: -584.613978 where: bonds (distance) C4'-P energy: -111.557 bonds (distance) P-C4' energy: -117.327 flat angles C4'-P-C4' energy: -122.969 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -145.412 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: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1857.339474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.339474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.339474 (E_RNA) where: Base-Base interactions energy: -1248.972 where: short stacking energy: -534.758 Base-Backbone interact. energy: -1.677 local terms energy: -606.690702 where: bonds (distance) C4'-P energy: -127.191 bonds (distance) P-C4' energy: -111.905 flat angles C4'-P-C4' energy: -139.207 flat angles P-C4'-P energy: -83.627 tors. eta vs tors. theta energy: -144.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1617.033038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.033038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.033038 (E_RNA) where: Base-Base interactions energy: -1106.558 where: short stacking energy: -511.990 Base-Backbone interact. energy: 5.807 local terms energy: -516.281983 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -115.350 flat angles C4'-P-C4' energy: -124.728 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -105.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1557.012851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.012851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.012851 (E_RNA) where: Base-Base interactions energy: -1037.458 where: short stacking energy: -482.965 Base-Backbone interact. energy: -0.246 local terms energy: -519.308864 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -107.052 flat angles C4'-P-C4' energy: -128.744 flat angles P-C4'-P energy: -81.613 tors. eta vs tors. theta energy: -98.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1321.559845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.559845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.559845 (E_RNA) where: Base-Base interactions energy: -858.708 where: short stacking energy: -381.426 Base-Backbone interact. energy: 2.184 local terms energy: -465.035669 where: bonds (distance) C4'-P energy: -101.116 bonds (distance) P-C4' energy: -116.781 flat angles C4'-P-C4' energy: -121.376 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: -64.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -878.623954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.623954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.623954 (E_RNA) where: Base-Base interactions energy: -510.165 where: short stacking energy: -284.390 Base-Backbone interact. energy: 1.065 local terms energy: -369.524562 where: bonds (distance) C4'-P energy: -106.444 bonds (distance) P-C4' energy: -108.646 flat angles C4'-P-C4' energy: -82.159 flat angles P-C4'-P energy: -54.293 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2510.801976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.801976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.801976 (E_RNA) where: Base-Base interactions energy: -1757.279 where: short stacking energy: -770.081 Base-Backbone interact. energy: 0.496 local terms energy: -754.018503 where: bonds (distance) C4'-P energy: -143.083 bonds (distance) P-C4' energy: -138.790 flat angles C4'-P-C4' energy: -156.034 flat angles P-C4'-P energy: -97.270 tors. eta vs tors. theta energy: -218.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2339.974933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.974933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.974933 (E_RNA) where: Base-Base interactions energy: -1626.143 where: short stacking energy: -693.193 Base-Backbone interact. energy: -2.603 local terms energy: -711.228807 where: bonds (distance) C4'-P energy: -136.359 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -157.559 flat angles P-C4'-P energy: -85.823 tors. eta vs tors. theta energy: -191.166 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2194.501147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.501147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.501147 (E_RNA) where: Base-Base interactions energy: -1526.207 where: short stacking energy: -640.950 Base-Backbone interact. energy: -3.652 local terms energy: -664.641917 where: bonds (distance) C4'-P energy: -125.635 bonds (distance) P-C4' energy: -120.023 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -98.542 tors. eta vs tors. theta energy: -173.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2086.878722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.878722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.878722 (E_RNA) where: Base-Base interactions energy: -1412.013 where: short stacking energy: -628.307 Base-Backbone interact. energy: -3.190 local terms energy: -671.675591 where: bonds (distance) C4'-P energy: -132.843 bonds (distance) P-C4' energy: -139.991 flat angles C4'-P-C4' energy: -131.794 flat angles P-C4'-P energy: -103.770 tors. eta vs tors. theta energy: -163.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2031.931680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.931680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.931680 (E_RNA) where: Base-Base interactions energy: -1398.319 where: short stacking energy: -575.418 Base-Backbone interact. energy: -1.890 local terms energy: -631.722987 where: bonds (distance) C4'-P energy: -125.956 bonds (distance) P-C4' energy: -133.248 flat angles C4'-P-C4' energy: -135.475 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -160.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1807.254522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.254522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.254522 (E_RNA) where: Base-Base interactions energy: -1250.264 where: short stacking energy: -523.283 Base-Backbone interact. energy: -0.702 local terms energy: -556.287826 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -123.144 flat angles C4'-P-C4' energy: -118.489 flat angles P-C4'-P energy: -86.910 tors. eta vs tors. theta energy: -117.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1642.286758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.286758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.286758 (E_RNA) where: Base-Base interactions energy: -1112.075 where: short stacking energy: -481.115 Base-Backbone interact. energy: -1.991 local terms energy: -528.221180 where: bonds (distance) C4'-P energy: -100.497 bonds (distance) P-C4' energy: -120.357 flat angles C4'-P-C4' energy: -128.391 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -99.938 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: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1611.377478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.377478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.377478 (E_RNA) where: Base-Base interactions energy: -1079.356 where: short stacking energy: -464.927 Base-Backbone interact. energy: -2.874 local terms energy: -529.148038 where: bonds (distance) C4'-P energy: -106.274 bonds (distance) P-C4' energy: -122.736 flat angles C4'-P-C4' energy: -111.744 flat angles P-C4'-P energy: -79.656 tors. eta vs tors. theta energy: -108.737 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: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1295.803659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.803659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.803659 (E_RNA) where: Base-Base interactions energy: -830.109 where: short stacking energy: -342.824 Base-Backbone interact. energy: -0.995 local terms energy: -464.699663 where: bonds (distance) C4'-P energy: -110.169 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -124.897 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -50.952 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: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -881.888741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.888741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.888741 (E_RNA) where: Base-Base interactions energy: -493.440 where: short stacking energy: -257.190 Base-Backbone interact. energy: -2.782 local terms energy: -385.667103 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -107.548 flat angles P-C4'-P energy: -54.378 tors. eta vs tors. theta energy: -31.316 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: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2493.570350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.570350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.570350 (E_RNA) where: Base-Base interactions energy: -1720.655 where: short stacking energy: -766.789 Base-Backbone interact. energy: -1.456 local terms energy: -771.459704 where: bonds (distance) C4'-P energy: -138.678 bonds (distance) P-C4' energy: -139.127 flat angles C4'-P-C4' energy: -160.863 flat angles P-C4'-P energy: -106.988 tors. eta vs tors. theta energy: -225.804 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: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2335.443699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.443699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.443699 (E_RNA) where: Base-Base interactions energy: -1642.224 where: short stacking energy: -666.311 Base-Backbone interact. energy: -2.359 local terms energy: -690.860128 where: bonds (distance) C4'-P energy: -131.483 bonds (distance) P-C4' energy: -131.361 flat angles C4'-P-C4' energy: -147.273 flat angles P-C4'-P energy: -108.042 tors. eta vs tors. theta energy: -172.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2179.613246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.613246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.613246 (E_RNA) where: Base-Base interactions energy: -1543.590 where: short stacking energy: -629.430 Base-Backbone interact. energy: -1.980 local terms energy: -634.043256 where: bonds (distance) C4'-P energy: -112.507 bonds (distance) P-C4' energy: -103.346 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -104.547 tors. eta vs tors. theta energy: -162.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2049.232698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.232698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.232698 (E_RNA) where: Base-Base interactions energy: -1410.382 where: short stacking energy: -626.445 Base-Backbone interact. energy: 2.433 local terms energy: -641.652125 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -129.272 flat angles C4'-P-C4' energy: -143.640 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: -155.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.369 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2027.846529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.846529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.846529 (E_RNA) where: Base-Base interactions energy: -1412.331 where: short stacking energy: -586.815 Base-Backbone interact. energy: -1.920 local terms energy: -613.595686 where: bonds (distance) C4'-P energy: -120.806 bonds (distance) P-C4' energy: -122.172 flat angles C4'-P-C4' energy: -131.744 flat angles P-C4'-P energy: -85.120 tors. eta vs tors. theta energy: -153.755 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: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1852.860441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.860441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.860441 (E_RNA) where: Base-Base interactions energy: -1261.616 where: short stacking energy: -526.163 Base-Backbone interact. energy: -1.098 local terms energy: -590.146502 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -124.408 flat angles P-C4'-P energy: -64.511 tors. eta vs tors. theta energy: -139.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1673.965034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.965034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.965034 (E_RNA) where: Base-Base interactions energy: -1133.563 where: short stacking energy: -472.185 Base-Backbone interact. energy: 2.385 local terms energy: -542.786998 where: bonds (distance) C4'-P energy: -109.865 bonds (distance) P-C4' energy: -109.465 flat angles C4'-P-C4' energy: -136.564 flat angles P-C4'-P energy: -71.500 tors. eta vs tors. theta energy: -115.393 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: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1593.084962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.084962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.084962 (E_RNA) where: Base-Base interactions energy: -1067.179 where: short stacking energy: -483.564 Base-Backbone interact. energy: -1.062 local terms energy: -524.843524 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -110.021 flat angles C4'-P-C4' energy: -133.897 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -98.882 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: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1231.527698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.527698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.527698 (E_RNA) where: Base-Base interactions energy: -812.220 where: short stacking energy: -359.269 Base-Backbone interact. energy: -1.219 local terms energy: -418.088440 where: bonds (distance) C4'-P energy: -98.798 bonds (distance) P-C4' energy: -100.320 flat angles C4'-P-C4' energy: -110.116 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: -52.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -919.787571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.787571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.787571 (E_RNA) where: Base-Base interactions energy: -512.292 where: short stacking energy: -252.947 Base-Backbone interact. energy: 1.997 local terms energy: -409.493309 where: bonds (distance) C4'-P energy: -115.543 bonds (distance) P-C4' energy: -117.915 flat angles C4'-P-C4' energy: -106.451 flat angles P-C4'-P energy: -58.002 tors. eta vs tors. theta energy: -11.583 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: 106 Temperature: 0.900000 Total energy: -2488.818805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.818805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.818805 (E_RNA) where: Base-Base interactions energy: -1745.396 where: short stacking energy: -766.363 Base-Backbone interact. energy: -1.021 local terms energy: -742.402405 where: bonds (distance) C4'-P energy: -133.847 bonds (distance) P-C4' energy: -138.677 flat angles C4'-P-C4' energy: -154.061 flat angles P-C4'-P energy: -105.722 tors. eta vs tors. theta energy: -210.095 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: 106 Temperature: 0.950000 Total energy: -2336.919553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.919553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.919553 (E_RNA) where: Base-Base interactions energy: -1641.064 where: short stacking energy: -687.478 Base-Backbone interact. energy: -2.848 local terms energy: -693.007129 where: bonds (distance) C4'-P energy: -140.438 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -153.869 flat angles P-C4'-P energy: -87.160 tors. eta vs tors. theta energy: -181.568 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: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2207.360216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.360216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.360216 (E_RNA) where: Base-Base interactions energy: -1524.088 where: short stacking energy: -648.640 Base-Backbone interact. energy: -2.569 local terms energy: -680.703396 where: bonds (distance) C4'-P energy: -138.321 bonds (distance) P-C4' energy: -135.415 flat angles C4'-P-C4' energy: -136.896 flat angles P-C4'-P energy: -104.942 tors. eta vs tors. theta energy: -165.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2085.977354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.977354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.977354 (E_RNA) where: Base-Base interactions energy: -1405.733 where: short stacking energy: -606.197 Base-Backbone interact. energy: -3.563 local terms energy: -676.682090 where: bonds (distance) C4'-P energy: -123.789 bonds (distance) P-C4' energy: -139.970 flat angles C4'-P-C4' energy: -146.339 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -163.616 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: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1972.929642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.929642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.929642 (E_RNA) where: Base-Base interactions energy: -1340.787 where: short stacking energy: -576.827 Base-Backbone interact. energy: -1.262 local terms energy: -630.880953 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -130.548 flat angles C4'-P-C4' energy: -136.844 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -153.116 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: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1843.900969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.900969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.900969 (E_RNA) where: Base-Base interactions energy: -1268.180 where: short stacking energy: -547.937 Base-Backbone interact. energy: -1.599 local terms energy: -574.122538 where: bonds (distance) C4'-P energy: -113.884 bonds (distance) P-C4' energy: -128.915 flat angles C4'-P-C4' energy: -125.376 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -126.921 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: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1617.370646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.370646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.370646 (E_RNA) where: Base-Base interactions energy: -1074.820 where: short stacking energy: -444.009 Base-Backbone interact. energy: -0.553 local terms energy: -541.998449 where: bonds (distance) C4'-P energy: -116.559 bonds (distance) P-C4' energy: -125.479 flat angles C4'-P-C4' energy: -129.259 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -92.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1566.914261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.914261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.914261 (E_RNA) where: Base-Base interactions energy: -1034.564 where: short stacking energy: -462.080 Base-Backbone interact. energy: 0.721 local terms energy: -533.070769 where: bonds (distance) C4'-P energy: -113.479 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -113.809 flat angles P-C4'-P energy: -97.230 tors. eta vs tors. theta energy: -103.240 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: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1230.510755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.510755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.510755 (E_RNA) where: Base-Base interactions energy: -746.819 where: short stacking energy: -336.135 Base-Backbone interact. energy: -2.189 local terms energy: -481.502691 where: bonds (distance) C4'-P energy: -109.156 bonds (distance) P-C4' energy: -127.467 flat angles C4'-P-C4' energy: -118.683 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -51.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -923.877413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.877413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.877413 (E_RNA) where: Base-Base interactions energy: -515.609 where: short stacking energy: -240.164 Base-Backbone interact. energy: -0.159 local terms energy: -408.109249 where: bonds (distance) C4'-P energy: -108.724 bonds (distance) P-C4' energy: -105.115 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -79.010 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: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2488.130935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.130935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.130935 (E_RNA) where: Base-Base interactions energy: -1741.120 where: short stacking energy: -784.197 Base-Backbone interact. energy: -1.273 local terms energy: -745.737088 where: bonds (distance) C4'-P energy: -133.240 bonds (distance) P-C4' energy: -127.150 flat angles C4'-P-C4' energy: -166.528 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -214.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2354.517141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.517141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.517141 (E_RNA) where: Base-Base interactions energy: -1651.690 where: short stacking energy: -706.787 Base-Backbone interact. energy: -3.776 local terms energy: -699.051340 where: bonds (distance) C4'-P energy: -117.411 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -187.797 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2190.096957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.096957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.096957 (E_RNA) where: Base-Base interactions energy: -1520.168 where: short stacking energy: -645.807 Base-Backbone interact. energy: 0.531 local terms energy: -670.459722 where: bonds (distance) C4'-P energy: -124.495 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -153.602 flat angles P-C4'-P energy: -96.116 tors. eta vs tors. theta energy: -159.818 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: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2080.502000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.502000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.502000 (E_RNA) where: Base-Base interactions energy: -1406.153 where: short stacking energy: -615.058 Base-Backbone interact. energy: 1.032 local terms energy: -675.937603 where: bonds (distance) C4'-P energy: -126.828 bonds (distance) P-C4' energy: -124.978 flat angles C4'-P-C4' energy: -149.568 flat angles P-C4'-P energy: -106.193 tors. eta vs tors. theta energy: -168.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1933.803148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.803148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.803148 (E_RNA) where: Base-Base interactions energy: -1324.509 where: short stacking energy: -570.570 Base-Backbone interact. energy: -2.238 local terms energy: -607.056490 where: bonds (distance) C4'-P energy: -135.763 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -129.970 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -138.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1794.924964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.924964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.924964 (E_RNA) where: Base-Base interactions energy: -1217.804 where: short stacking energy: -533.993 Base-Backbone interact. energy: -1.792 local terms energy: -575.329077 where: bonds (distance) C4'-P energy: -127.907 bonds (distance) P-C4' energy: -128.722 flat angles C4'-P-C4' energy: -118.244 flat angles P-C4'-P energy: -72.230 tors. eta vs tors. theta energy: -128.226 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: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1642.545684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.545684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.545684 (E_RNA) where: Base-Base interactions energy: -1114.025 where: short stacking energy: -468.692 Base-Backbone interact. energy: -1.888 local terms energy: -526.633188 where: bonds (distance) C4'-P energy: -119.246 bonds (distance) P-C4' energy: -116.634 flat angles C4'-P-C4' energy: -110.327 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -107.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1645.231955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.231955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.231955 (E_RNA) where: Base-Base interactions energy: -1110.562 where: short stacking energy: -473.167 Base-Backbone interact. energy: 0.195 local terms energy: -534.864549 where: bonds (distance) C4'-P energy: -112.847 bonds (distance) P-C4' energy: -116.235 flat angles C4'-P-C4' energy: -126.106 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -100.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1168.566557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.566557 (E_RNA) where: Base-Base interactions energy: -739.319 where: short stacking energy: -340.002 Base-Backbone interact. energy: 1.633 local terms energy: -430.880842 where: bonds (distance) C4'-P energy: -97.895 bonds (distance) P-C4' energy: -108.331 flat angles C4'-P-C4' energy: -107.894 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -45.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -941.710597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.710597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.710597 (E_RNA) where: Base-Base interactions energy: -542.163 where: short stacking energy: -257.431 Base-Backbone interact. energy: 1.473 local terms energy: -401.020028 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -115.349 flat angles C4'-P-C4' energy: -102.620 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -15.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2472.942812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.942812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.942812 (E_RNA) where: Base-Base interactions energy: -1685.759 where: short stacking energy: -765.164 Base-Backbone interact. energy: -0.712 local terms energy: -786.472401 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -157.552 flat angles C4'-P-C4' energy: -172.321 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -214.623 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: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2355.041098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.041098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.041098 (E_RNA) where: Base-Base interactions energy: -1651.515 where: short stacking energy: -682.610 Base-Backbone interact. energy: -1.167 local terms energy: -702.358536 where: bonds (distance) C4'-P energy: -144.097 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -150.912 flat angles P-C4'-P energy: -95.986 tors. eta vs tors. theta energy: -181.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2150.228270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.228270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.228270 (E_RNA) where: Base-Base interactions energy: -1477.961 where: short stacking energy: -624.063 Base-Backbone interact. energy: -2.665 local terms energy: -669.601535 where: bonds (distance) C4'-P energy: -127.941 bonds (distance) P-C4' energy: -140.214 flat angles C4'-P-C4' energy: -144.731 flat angles P-C4'-P energy: -93.639 tors. eta vs tors. theta energy: -163.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2080.121839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.121839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.121839 (E_RNA) where: Base-Base interactions energy: -1425.336 where: short stacking energy: -619.395 Base-Backbone interact. energy: -7.851 local terms energy: -646.935388 where: bonds (distance) C4'-P energy: -121.211 bonds (distance) P-C4' energy: -135.606 flat angles C4'-P-C4' energy: -138.310 flat angles P-C4'-P energy: -94.878 tors. eta vs tors. theta energy: -156.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1975.731495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.731495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.731495 (E_RNA) where: Base-Base interactions energy: -1341.024 where: short stacking energy: -605.283 Base-Backbone interact. energy: -3.573 local terms energy: -631.134599 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -129.691 flat angles C4'-P-C4' energy: -136.490 flat angles P-C4'-P energy: -81.073 tors. eta vs tors. theta energy: -162.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1817.107772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.107772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.107772 (E_RNA) where: Base-Base interactions energy: -1246.093 where: short stacking energy: -548.213 Base-Backbone interact. energy: -2.476 local terms energy: -568.538795 where: bonds (distance) C4'-P energy: -125.489 bonds (distance) P-C4' energy: -114.142 flat angles C4'-P-C4' energy: -131.051 flat angles P-C4'-P energy: -81.341 tors. eta vs tors. theta energy: -116.516 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: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1702.086822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.086822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.086822 (E_RNA) where: Base-Base interactions energy: -1173.964 where: short stacking energy: -537.125 Base-Backbone interact. energy: 3.822 local terms energy: -531.945151 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -123.374 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -122.202 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: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1609.454654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.454654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.454654 (E_RNA) where: Base-Base interactions energy: -1087.389 where: short stacking energy: -451.343 Base-Backbone interact. energy: -0.864 local terms energy: -521.201731 where: bonds (distance) C4'-P energy: -104.136 bonds (distance) P-C4' energy: -138.264 flat angles C4'-P-C4' energy: -118.475 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -84.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1166.213366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.213366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.213366 (E_RNA) where: Base-Base interactions energy: -722.021 where: short stacking energy: -322.686 Base-Backbone interact. energy: -0.234 local terms energy: -443.959088 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -114.193 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: -42.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -952.631507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.631507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.631507 (E_RNA) where: Base-Base interactions energy: -546.555 where: short stacking energy: -265.571 Base-Backbone interact. energy: 0.100 local terms energy: -406.175761 where: bonds (distance) C4'-P energy: -89.471 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -22.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2488.056780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.056780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.056780 (E_RNA) where: Base-Base interactions energy: -1717.021 where: short stacking energy: -786.475 Base-Backbone interact. energy: 3.269 local terms energy: -774.305034 where: bonds (distance) C4'-P energy: -142.434 bonds (distance) P-C4' energy: -136.252 flat angles C4'-P-C4' energy: -164.752 flat angles P-C4'-P energy: -98.726 tors. eta vs tors. theta energy: -232.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2367.026540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.026540 (E_RNA) where: Base-Base interactions energy: -1637.884 where: short stacking energy: -707.801 Base-Backbone interact. energy: -3.411 local terms energy: -725.731959 where: bonds (distance) C4'-P energy: -130.660 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -157.674 flat angles P-C4'-P energy: -103.166 tors. eta vs tors. theta energy: -190.685 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2143.182206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.182206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.182206 (E_RNA) where: Base-Base interactions energy: -1496.942 where: short stacking energy: -630.404 Base-Backbone interact. energy: -1.713 local terms energy: -644.527316 where: bonds (distance) C4'-P energy: -126.408 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -138.692 flat angles P-C4'-P energy: -87.947 tors. eta vs tors. theta energy: -153.634 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: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2103.512887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.512887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.512887 (E_RNA) where: Base-Base interactions energy: -1435.080 where: short stacking energy: -640.816 Base-Backbone interact. energy: 1.066 local terms energy: -669.498448 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -124.589 flat angles C4'-P-C4' energy: -156.162 flat angles P-C4'-P energy: -84.054 tors. eta vs tors. theta energy: -169.222 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: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2028.226774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.226774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.226774 (E_RNA) where: Base-Base interactions energy: -1397.729 where: short stacking energy: -623.002 Base-Backbone interact. energy: 1.428 local terms energy: -631.926014 where: bonds (distance) C4'-P energy: -121.106 bonds (distance) P-C4' energy: -124.887 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -84.849 tors. eta vs tors. theta energy: -156.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1856.488720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.488720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.488720 (E_RNA) where: Base-Base interactions energy: -1268.331 where: short stacking energy: -548.035 Base-Backbone interact. energy: -5.743 local terms energy: -582.414813 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -110.418 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -80.889 tors. eta vs tors. theta energy: -136.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1761.693550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.693550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.693550 (E_RNA) where: Base-Base interactions energy: -1215.369 where: short stacking energy: -535.267 Base-Backbone interact. energy: -2.367 local terms energy: -543.957648 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -112.325 flat angles C4'-P-C4' energy: -136.200 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -128.199 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: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1606.395640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.395640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.395640 (E_RNA) where: Base-Base interactions energy: -1092.917 where: short stacking energy: -451.049 Base-Backbone interact. energy: 0.882 local terms energy: -514.361249 where: bonds (distance) C4'-P energy: -101.561 bonds (distance) P-C4' energy: -121.863 flat angles C4'-P-C4' energy: -127.254 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -94.981 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: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1121.240302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.240302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.240302 (E_RNA) where: Base-Base interactions energy: -700.670 where: short stacking energy: -311.727 Base-Backbone interact. energy: 1.626 local terms energy: -422.196082 where: bonds (distance) C4'-P energy: -106.773 bonds (distance) P-C4' energy: -141.086 flat angles C4'-P-C4' energy: -90.536 flat angles P-C4'-P energy: -51.975 tors. eta vs tors. theta energy: -31.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -940.095052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.095052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.095052 (E_RNA) where: Base-Base interactions energy: -557.178 where: short stacking energy: -264.943 Base-Backbone interact. energy: 5.992 local terms energy: -388.909323 where: bonds (distance) C4'-P energy: -108.404 bonds (distance) P-C4' energy: -128.993 flat angles C4'-P-C4' energy: -93.331 flat angles P-C4'-P energy: -39.429 tors. eta vs tors. theta energy: -18.752 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: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2492.235056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.235056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.235056 (E_RNA) where: Base-Base interactions energy: -1717.739 where: short stacking energy: -762.230 Base-Backbone interact. energy: -2.895 local terms energy: -771.601207 where: bonds (distance) C4'-P energy: -133.113 bonds (distance) P-C4' energy: -141.946 flat angles C4'-P-C4' energy: -167.180 flat angles P-C4'-P energy: -111.458 tors. eta vs tors. theta energy: -217.903 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2342.055728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.055728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.055728 (E_RNA) where: Base-Base interactions energy: -1644.435 where: short stacking energy: -701.788 Base-Backbone interact. energy: -0.622 local terms energy: -696.998893 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -137.322 flat angles C4'-P-C4' energy: -146.585 flat angles P-C4'-P energy: -97.625 tors. eta vs tors. theta energy: -187.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2140.311229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.311229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.311229 (E_RNA) where: Base-Base interactions energy: -1477.557 where: short stacking energy: -628.062 Base-Backbone interact. energy: -2.785 local terms energy: -659.968987 where: bonds (distance) C4'-P energy: -134.087 bonds (distance) P-C4' energy: -133.581 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -95.573 tors. eta vs tors. theta energy: -154.443 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: 110 Temperature: 1.050000 Total energy: -2098.380664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.380664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.380664 (E_RNA) where: Base-Base interactions energy: -1454.618 where: short stacking energy: -613.340 Base-Backbone interact. energy: -0.277 local terms energy: -643.485122 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -155.161 flat angles P-C4'-P energy: -75.923 tors. eta vs tors. theta energy: -169.113 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: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2013.487072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.487072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.487072 (E_RNA) where: Base-Base interactions energy: -1383.163 where: short stacking energy: -599.999 Base-Backbone interact. energy: -1.695 local terms energy: -628.629019 where: bonds (distance) C4'-P energy: -112.154 bonds (distance) P-C4' energy: -119.931 flat angles C4'-P-C4' energy: -150.144 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -176.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1850.924406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.924406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.924406 (E_RNA) where: Base-Base interactions energy: -1288.170 where: short stacking energy: -560.273 Base-Backbone interact. energy: 0.090 local terms energy: -562.845010 where: bonds (distance) C4'-P energy: -102.759 bonds (distance) P-C4' energy: -106.234 flat angles C4'-P-C4' energy: -133.770 flat angles P-C4'-P energy: -80.476 tors. eta vs tors. theta energy: -139.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1677.120996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.120996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.120996 (E_RNA) where: Base-Base interactions energy: -1126.592 where: short stacking energy: -466.561 Base-Backbone interact. energy: -2.291 local terms energy: -548.238047 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -133.876 flat angles C4'-P-C4' energy: -123.559 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -97.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1693.177719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.177719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.177719 (E_RNA) where: Base-Base interactions energy: -1182.805 where: short stacking energy: -527.644 Base-Backbone interact. energy: 3.018 local terms energy: -513.390359 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -79.630 flat angles C4'-P-C4' energy: -118.254 flat angles P-C4'-P energy: -73.291 tors. eta vs tors. theta energy: -124.793 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: 110 Temperature: 1.300000 Total energy: -1184.914962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.914962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.914962 (E_RNA) where: Base-Base interactions energy: -750.622 where: short stacking energy: -334.194 Base-Backbone interact. energy: -1.789 local terms energy: -432.504235 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -127.529 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -44.645 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: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1014.619626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.619626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.619626 (E_RNA) where: Base-Base interactions energy: -611.929 where: short stacking energy: -292.225 Base-Backbone interact. energy: 0.523 local terms energy: -403.213306 where: bonds (distance) C4'-P energy: -102.481 bonds (distance) P-C4' energy: -113.143 flat angles C4'-P-C4' energy: -105.502 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -37.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2482.979823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.979823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.979823 (E_RNA) where: Base-Base interactions energy: -1712.139 where: short stacking energy: -782.945 Base-Backbone interact. energy: -3.136 local terms energy: -767.705050 where: bonds (distance) C4'-P energy: -138.737 bonds (distance) P-C4' energy: -138.714 flat angles C4'-P-C4' energy: -166.212 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -219.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2383.822026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.822026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.822026 (E_RNA) where: Base-Base interactions energy: -1669.460 where: short stacking energy: -679.239 Base-Backbone interact. energy: -1.092 local terms energy: -713.269557 where: bonds (distance) C4'-P energy: -142.956 bonds (distance) P-C4' energy: -130.603 flat angles C4'-P-C4' energy: -146.487 flat angles P-C4'-P energy: -109.543 tors. eta vs tors. theta energy: -183.681 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2193.384038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.384038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.384038 (E_RNA) where: Base-Base interactions energy: -1508.359 where: short stacking energy: -648.704 Base-Backbone interact. energy: -6.892 local terms energy: -678.133024 where: bonds (distance) C4'-P energy: -139.023 bonds (distance) P-C4' energy: -129.721 flat angles C4'-P-C4' energy: -149.682 flat angles P-C4'-P energy: -97.693 tors. eta vs tors. theta energy: -162.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2102.101084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.101084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.101084 (E_RNA) where: Base-Base interactions energy: -1452.876 where: short stacking energy: -602.025 Base-Backbone interact. energy: -3.819 local terms energy: -645.405859 where: bonds (distance) C4'-P energy: -113.137 bonds (distance) P-C4' energy: -124.570 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -100.863 tors. eta vs tors. theta energy: -154.751 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: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2011.676537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.676537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.676537 (E_RNA) where: Base-Base interactions energy: -1393.709 where: short stacking energy: -637.608 Base-Backbone interact. energy: -4.265 local terms energy: -613.702624 where: bonds (distance) C4'-P energy: -114.870 bonds (distance) P-C4' energy: -121.227 flat angles C4'-P-C4' energy: -136.403 flat angles P-C4'-P energy: -90.403 tors. eta vs tors. theta energy: -150.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1858.451417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.451417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.451417 (E_RNA) where: Base-Base interactions energy: -1268.316 where: short stacking energy: -550.028 Base-Backbone interact. energy: -3.423 local terms energy: -586.712303 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -130.396 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -136.480 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: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1738.687035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.687035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.687035 (E_RNA) where: Base-Base interactions energy: -1165.798 where: short stacking energy: -509.992 Base-Backbone interact. energy: -4.582 local terms energy: -568.307548 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -130.321 flat angles C4'-P-C4' energy: -140.201 flat angles P-C4'-P energy: -69.613 tors. eta vs tors. theta energy: -110.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1632.605727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.605727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.605727 (E_RNA) where: Base-Base interactions energy: -1112.239 where: short stacking energy: -475.775 Base-Backbone interact. energy: -3.473 local terms energy: -516.894160 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -112.203 flat angles C4'-P-C4' energy: -103.988 flat angles P-C4'-P energy: -62.977 tors. eta vs tors. theta energy: -109.952 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: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1213.343354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.343354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.343354 (E_RNA) where: Base-Base interactions energy: -763.301 where: short stacking energy: -337.476 Base-Backbone interact. energy: -1.647 local terms energy: -448.395222 where: bonds (distance) C4'-P energy: -112.441 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -107.324 flat angles P-C4'-P energy: -70.616 tors. eta vs tors. theta energy: -41.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -970.093106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.093106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.093106 (E_RNA) where: Base-Base interactions energy: -583.153 where: short stacking energy: -280.765 Base-Backbone interact. energy: 0.673 local terms energy: -387.613115 where: bonds (distance) C4'-P energy: -111.043 bonds (distance) P-C4' energy: -101.524 flat angles C4'-P-C4' energy: -103.013 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -20.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2516.372952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.372952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.372952 (E_RNA) where: Base-Base interactions energy: -1770.984 where: short stacking energy: -803.024 Base-Backbone interact. energy: -2.477 local terms energy: -742.912160 where: bonds (distance) C4'-P energy: -134.839 bonds (distance) P-C4' energy: -139.907 flat angles C4'-P-C4' energy: -149.492 flat angles P-C4'-P energy: -97.787 tors. eta vs tors. theta energy: -220.887 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2375.275266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.275266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.275266 (E_RNA) where: Base-Base interactions energy: -1675.356 where: short stacking energy: -686.054 Base-Backbone interact. energy: -5.531 local terms energy: -694.388008 where: bonds (distance) C4'-P energy: -124.715 bonds (distance) P-C4' energy: -132.047 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -184.958 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: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2203.513296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.513296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.513296 (E_RNA) where: Base-Base interactions energy: -1556.595 where: short stacking energy: -695.384 Base-Backbone interact. energy: -3.250 local terms energy: -643.667619 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -121.499 flat angles C4'-P-C4' energy: -142.997 flat angles P-C4'-P energy: -90.652 tors. eta vs tors. theta energy: -166.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2060.347720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.347720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.347720 (E_RNA) where: Base-Base interactions energy: -1420.296 where: short stacking energy: -637.773 Base-Backbone interact. energy: -4.755 local terms energy: -635.296787 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -129.454 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -167.729 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: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2000.354004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.354004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.354004 (E_RNA) where: Base-Base interactions energy: -1358.583 where: short stacking energy: -585.061 Base-Backbone interact. energy: -2.936 local terms energy: -638.835284 where: bonds (distance) C4'-P energy: -129.172 bonds (distance) P-C4' energy: -129.940 flat angles C4'-P-C4' energy: -135.085 flat angles P-C4'-P energy: -100.160 tors. eta vs tors. theta energy: -144.479 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: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1847.583837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.583837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.583837 (E_RNA) where: Base-Base interactions energy: -1275.653 where: short stacking energy: -579.256 Base-Backbone interact. energy: 1.823 local terms energy: -573.753331 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -116.306 flat angles C4'-P-C4' energy: -130.956 flat angles P-C4'-P energy: -87.269 tors. eta vs tors. theta energy: -129.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1648.210936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.210936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.210936 (E_RNA) where: Base-Base interactions energy: -1132.126 where: short stacking energy: -477.077 Base-Backbone interact. energy: 1.975 local terms energy: -518.060271 where: bonds (distance) C4'-P energy: -110.724 bonds (distance) P-C4' energy: -123.047 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -100.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1553.430390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.430390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.430390 (E_RNA) where: Base-Base interactions energy: -1031.473 where: short stacking energy: -483.095 Base-Backbone interact. energy: -2.749 local terms energy: -519.208671 where: bonds (distance) C4'-P energy: -98.768 bonds (distance) P-C4' energy: -116.672 flat angles C4'-P-C4' energy: -114.614 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -108.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1237.098653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.098653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.098653 (E_RNA) where: Base-Base interactions energy: -802.896 where: short stacking energy: -371.141 Base-Backbone interact. energy: 3.768 local terms energy: -437.970730 where: bonds (distance) C4'-P energy: -117.003 bonds (distance) P-C4' energy: -119.580 flat angles C4'-P-C4' energy: -93.919 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -46.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1048.637428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.637428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.637428 (E_RNA) where: Base-Base interactions energy: -637.015 where: short stacking energy: -294.248 Base-Backbone interact. energy: 4.508 local terms energy: -416.130546 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -128.154 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -19.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2522.222986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.222986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.222986 (E_RNA) where: Base-Base interactions energy: -1735.131 where: short stacking energy: -763.822 Base-Backbone interact. energy: -0.485 local terms energy: -786.606325 where: bonds (distance) C4'-P energy: -156.475 bonds (distance) P-C4' energy: -143.814 flat angles C4'-P-C4' energy: -167.485 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -212.758 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: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2379.963509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.963509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.963509 (E_RNA) where: Base-Base interactions energy: -1689.894 where: short stacking energy: -687.674 Base-Backbone interact. energy: -3.059 local terms energy: -687.010696 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -139.884 flat angles C4'-P-C4' energy: -151.438 flat angles P-C4'-P energy: -99.447 tors. eta vs tors. theta energy: -181.660 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: 113 Temperature: 1.000000 Total energy: -2179.348438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.348438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.348438 (E_RNA) where: Base-Base interactions energy: -1530.929 where: short stacking energy: -661.992 Base-Backbone interact. energy: -1.514 local terms energy: -646.906184 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -119.095 flat angles C4'-P-C4' energy: -139.748 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -167.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2028.315012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.315012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.315012 (E_RNA) where: Base-Base interactions energy: -1375.167 where: short stacking energy: -641.061 Base-Backbone interact. energy: 1.070 local terms energy: -654.709263 where: bonds (distance) C4'-P energy: -119.151 bonds (distance) P-C4' energy: -121.682 flat angles C4'-P-C4' energy: -136.100 flat angles P-C4'-P energy: -96.986 tors. eta vs tors. theta energy: -180.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.491 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1947.840601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.840601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.840601 (E_RNA) where: Base-Base interactions energy: -1340.472 where: short stacking energy: -593.908 Base-Backbone interact. energy: -3.427 local terms energy: -603.941653 where: bonds (distance) C4'-P energy: -120.295 bonds (distance) P-C4' energy: -114.313 flat angles C4'-P-C4' energy: -131.638 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -149.550 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: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1838.890008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.890008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.890008 (E_RNA) where: Base-Base interactions energy: -1259.984 where: short stacking energy: -565.559 Base-Backbone interact. energy: 2.105 local terms energy: -581.010497 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -121.886 flat angles C4'-P-C4' energy: -132.389 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -140.797 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: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1717.714830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.714830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.714830 (E_RNA) where: Base-Base interactions energy: -1192.754 where: short stacking energy: -526.926 Base-Backbone interact. energy: -3.267 local terms energy: -521.693720 where: bonds (distance) C4'-P energy: -100.589 bonds (distance) P-C4' energy: -125.177 flat angles C4'-P-C4' energy: -117.671 flat angles P-C4'-P energy: -71.105 tors. eta vs tors. theta energy: -107.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1593.783776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.783776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.783776 (E_RNA) where: Base-Base interactions energy: -1062.759 where: short stacking energy: -467.203 Base-Backbone interact. energy: -4.222 local terms energy: -526.802986 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -133.454 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: -98.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1251.103849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.103849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.103849 (E_RNA) where: Base-Base interactions energy: -811.623 where: short stacking energy: -389.339 Base-Backbone interact. energy: -2.602 local terms energy: -436.878886 where: bonds (distance) C4'-P energy: -92.405 bonds (distance) P-C4' energy: -107.570 flat angles C4'-P-C4' energy: -110.379 flat angles P-C4'-P energy: -67.278 tors. eta vs tors. theta energy: -59.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1002.279332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.279332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.279332 (E_RNA) where: Base-Base interactions energy: -607.159 where: short stacking energy: -277.386 Base-Backbone interact. energy: 0.595 local terms energy: -395.714730 where: bonds (distance) C4'-P energy: -95.641 bonds (distance) P-C4' energy: -113.981 flat angles C4'-P-C4' energy: -105.846 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2462.662733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.662733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.662733 (E_RNA) where: Base-Base interactions energy: -1741.122 where: short stacking energy: -759.426 Base-Backbone interact. energy: -0.750 local terms energy: -720.791123 where: bonds (distance) C4'-P energy: -126.504 bonds (distance) P-C4' energy: -129.665 flat angles C4'-P-C4' energy: -152.825 flat angles P-C4'-P energy: -104.192 tors. eta vs tors. theta energy: -207.606 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: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2343.710680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.710680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.710680 (E_RNA) where: Base-Base interactions energy: -1666.653 where: short stacking energy: -667.889 Base-Backbone interact. energy: -3.022 local terms energy: -674.035924 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -124.987 flat angles C4'-P-C4' energy: -145.260 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -177.557 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2172.822324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.822324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.822324 (E_RNA) where: Base-Base interactions energy: -1516.132 where: short stacking energy: -659.823 Base-Backbone interact. energy: 1.270 local terms energy: -657.960814 where: bonds (distance) C4'-P energy: -124.063 bonds (distance) P-C4' energy: -133.677 flat angles C4'-P-C4' energy: -149.250 flat angles P-C4'-P energy: -88.434 tors. eta vs tors. theta energy: -162.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2021.264480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.264480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.264480 (E_RNA) where: Base-Base interactions energy: -1379.393 where: short stacking energy: -615.017 Base-Backbone interact. energy: -1.817 local terms energy: -640.054515 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -136.705 flat angles C4'-P-C4' energy: -129.534 flat angles P-C4'-P energy: -101.681 tors. eta vs tors. theta energy: -147.878 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: 5, replica: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1903.287106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.287106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.287106 (E_RNA) where: Base-Base interactions energy: -1292.853 where: short stacking energy: -566.085 Base-Backbone interact. energy: 6.894 local terms energy: -617.327765 where: bonds (distance) C4'-P energy: -128.904 bonds (distance) P-C4' energy: -126.717 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -86.510 tors. eta vs tors. theta energy: -134.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1889.267886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.267886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.267886 (E_RNA) where: Base-Base interactions energy: -1305.632 where: short stacking energy: -574.043 Base-Backbone interact. energy: -4.083 local terms energy: -579.552957 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -123.125 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -88.578 tors. eta vs tors. theta energy: -138.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1782.196889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.196889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.196889 (E_RNA) where: Base-Base interactions energy: -1217.503 where: short stacking energy: -531.514 Base-Backbone interact. energy: 0.186 local terms energy: -564.880051 where: bonds (distance) C4'-P energy: -128.049 bonds (distance) P-C4' energy: -118.994 flat angles C4'-P-C4' energy: -124.128 flat angles P-C4'-P energy: -79.094 tors. eta vs tors. theta energy: -114.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1552.714601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.714601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.714601 (E_RNA) where: Base-Base interactions energy: -1042.508 where: short stacking energy: -455.414 Base-Backbone interact. energy: -0.918 local terms energy: -509.289004 where: bonds (distance) C4'-P energy: -103.505 bonds (distance) P-C4' energy: -104.324 flat angles C4'-P-C4' energy: -130.589 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -90.863 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: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1227.826009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.826009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.826009 (E_RNA) where: Base-Base interactions energy: -776.396 where: short stacking energy: -371.898 Base-Backbone interact. energy: -0.800 local terms energy: -450.630471 where: bonds (distance) C4'-P energy: -105.891 bonds (distance) P-C4' energy: -117.276 flat angles C4'-P-C4' energy: -120.664 flat angles P-C4'-P energy: -41.817 tors. eta vs tors. theta energy: -64.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -988.615921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.615921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.615921 (E_RNA) where: Base-Base interactions energy: -582.871 where: short stacking energy: -294.184 Base-Backbone interact. energy: -0.882 local terms energy: -404.863058 where: bonds (distance) C4'-P energy: -103.555 bonds (distance) P-C4' energy: -107.031 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -68.204 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: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2472.127716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.127716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.127716 (E_RNA) where: Base-Base interactions energy: -1733.547 where: short stacking energy: -775.812 Base-Backbone interact. energy: -2.645 local terms energy: -735.936396 where: bonds (distance) C4'-P energy: -130.683 bonds (distance) P-C4' energy: -140.308 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -105.572 tors. eta vs tors. theta energy: -205.464 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: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2374.902032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.902032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.902032 (E_RNA) where: Base-Base interactions energy: -1681.086 where: short stacking energy: -691.594 Base-Backbone interact. energy: -4.802 local terms energy: -689.014063 where: bonds (distance) C4'-P energy: -127.462 bonds (distance) P-C4' energy: -138.963 flat angles C4'-P-C4' energy: -140.781 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -189.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2156.836425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.836425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.836425 (E_RNA) where: Base-Base interactions energy: -1504.396 where: short stacking energy: -644.624 Base-Backbone interact. energy: -0.610 local terms energy: -651.830821 where: bonds (distance) C4'-P energy: -140.583 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -137.202 flat angles P-C4'-P energy: -84.659 tors. eta vs tors. theta energy: -158.114 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: 115 Temperature: 1.050000 Total energy: -2050.087092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.087092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.087092 (E_RNA) where: Base-Base interactions energy: -1384.190 where: short stacking energy: -627.877 Base-Backbone interact. energy: -1.078 local terms energy: -664.819177 where: bonds (distance) C4'-P energy: -116.020 bonds (distance) P-C4' energy: -139.435 flat angles C4'-P-C4' energy: -149.402 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -175.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1904.285845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.285845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.285845 (E_RNA) where: Base-Base interactions energy: -1306.219 where: short stacking energy: -552.545 Base-Backbone interact. energy: 1.090 local terms energy: -599.156945 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -126.437 flat angles C4'-P-C4' energy: -148.489 flat angles P-C4'-P energy: -66.112 tors. eta vs tors. theta energy: -126.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1836.076724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.076724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.076724 (E_RNA) where: Base-Base interactions energy: -1247.834 where: short stacking energy: -517.457 Base-Backbone interact. energy: -0.649 local terms energy: -587.593535 where: bonds (distance) C4'-P energy: -114.723 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -125.065 flat angles P-C4'-P energy: -89.060 tors. eta vs tors. theta energy: -121.850 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: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1823.261290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.261290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.261290 (E_RNA) where: Base-Base interactions energy: -1256.059 where: short stacking energy: -529.034 Base-Backbone interact. energy: -5.930 local terms energy: -561.271943 where: bonds (distance) C4'-P energy: -120.189 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -132.438 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -112.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1594.084795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.084795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.084795 (E_RNA) where: Base-Base interactions energy: -1097.392 where: short stacking energy: -486.912 Base-Backbone interact. energy: 0.644 local terms energy: -497.336912 where: bonds (distance) C4'-P energy: -101.679 bonds (distance) P-C4' energy: -88.826 flat angles C4'-P-C4' energy: -121.572 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -97.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1093.851078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.851078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.851078 (E_RNA) where: Base-Base interactions energy: -694.772 where: short stacking energy: -293.271 Base-Backbone interact. energy: 2.420 local terms energy: -401.498532 where: bonds (distance) C4'-P energy: -94.016 bonds (distance) P-C4' energy: -104.440 flat angles C4'-P-C4' energy: -102.432 flat angles P-C4'-P energy: -72.807 tors. eta vs tors. theta energy: -27.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -950.854837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.854837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.854837 (E_RNA) where: Base-Base interactions energy: -572.786 where: short stacking energy: -292.010 Base-Backbone interact. energy: 1.401 local terms energy: -379.469535 where: bonds (distance) C4'-P energy: -111.199 bonds (distance) P-C4' energy: -105.992 flat angles C4'-P-C4' energy: -79.194 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -33.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2483.203939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.203939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.203939 (E_RNA) where: Base-Base interactions energy: -1734.816 where: short stacking energy: -763.282 Base-Backbone interact. energy: -1.660 local terms energy: -746.728281 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -152.301 flat angles C4'-P-C4' energy: -155.391 flat angles P-C4'-P energy: -113.533 tors. eta vs tors. theta energy: -206.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2369.380576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.380576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.380576 (E_RNA) where: Base-Base interactions energy: -1649.230 where: short stacking energy: -675.868 Base-Backbone interact. energy: -3.523 local terms energy: -716.626889 where: bonds (distance) C4'-P energy: -145.111 bonds (distance) P-C4' energy: -142.915 flat angles C4'-P-C4' energy: -146.815 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -188.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2078.309281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.309281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.309281 (E_RNA) where: Base-Base interactions energy: -1398.902 where: short stacking energy: -644.476 Base-Backbone interact. energy: -4.003 local terms energy: -675.431702 where: bonds (distance) C4'-P energy: -122.678 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -147.584 flat angles P-C4'-P energy: -91.111 tors. eta vs tors. theta energy: -177.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2123.618780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.618780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.618780 (E_RNA) where: Base-Base interactions energy: -1462.667 where: short stacking energy: -637.250 Base-Backbone interact. energy: -1.750 local terms energy: -659.201707 where: bonds (distance) C4'-P energy: -134.391 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -151.533 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -163.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1962.511356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.511356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.511356 (E_RNA) where: Base-Base interactions energy: -1372.827 where: short stacking energy: -574.155 Base-Backbone interact. energy: 1.416 local terms energy: -591.100617 where: bonds (distance) C4'-P energy: -112.559 bonds (distance) P-C4' energy: -124.647 flat angles C4'-P-C4' energy: -134.113 flat angles P-C4'-P energy: -82.651 tors. eta vs tors. theta energy: -137.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1866.496941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.496941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.496941 (E_RNA) where: Base-Base interactions energy: -1289.662 where: short stacking energy: -568.866 Base-Backbone interact. energy: 5.829 local terms energy: -582.663457 where: bonds (distance) C4'-P energy: -107.707 bonds (distance) P-C4' energy: -117.019 flat angles C4'-P-C4' energy: -128.719 flat angles P-C4'-P energy: -97.618 tors. eta vs tors. theta energy: -131.601 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: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1825.008173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.008173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.008173 (E_RNA) where: Base-Base interactions energy: -1267.433 where: short stacking energy: -528.780 Base-Backbone interact. energy: 0.986 local terms energy: -558.560675 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -116.962 flat angles C4'-P-C4' energy: -131.079 flat angles P-C4'-P energy: -63.094 tors. eta vs tors. theta energy: -128.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1583.611551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.611551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.611551 (E_RNA) where: Base-Base interactions energy: -1075.743 where: short stacking energy: -490.388 Base-Backbone interact. energy: -2.431 local terms energy: -505.437407 where: bonds (distance) C4'-P energy: -124.887 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -112.432 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -105.643 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: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1080.332184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.332184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.332184 (E_RNA) where: Base-Base interactions energy: -672.229 where: short stacking energy: -321.963 Base-Backbone interact. energy: -0.233 local terms energy: -407.870187 where: bonds (distance) C4'-P energy: -99.978 bonds (distance) P-C4' energy: -115.169 flat angles C4'-P-C4' energy: -108.542 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -34.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -850.752256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.752256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.752256 (E_RNA) where: Base-Base interactions energy: -445.986 where: short stacking energy: -232.429 Base-Backbone interact. energy: 1.950 local terms energy: -406.715810 where: bonds (distance) C4'-P energy: -93.152 bonds (distance) P-C4' energy: -127.188 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -62.973 tors. eta vs tors. theta energy: -8.286 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: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2495.867178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.867178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.867178 (E_RNA) where: Base-Base interactions energy: -1754.156 where: short stacking energy: -761.630 Base-Backbone interact. energy: -0.289 local terms energy: -741.421997 where: bonds (distance) C4'-P energy: -119.468 bonds (distance) P-C4' energy: -143.383 flat angles C4'-P-C4' energy: -155.369 flat angles P-C4'-P energy: -108.755 tors. eta vs tors. theta energy: -214.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2368.368525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.368525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.368525 (E_RNA) where: Base-Base interactions energy: -1665.736 where: short stacking energy: -693.160 Base-Backbone interact. energy: -2.724 local terms energy: -699.908540 where: bonds (distance) C4'-P energy: -119.653 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -96.105 tors. eta vs tors. theta energy: -189.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2114.362241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.362241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.362241 (E_RNA) where: Base-Base interactions energy: -1427.455 where: short stacking energy: -651.271 Base-Backbone interact. energy: -1.051 local terms energy: -685.856238 where: bonds (distance) C4'-P energy: -133.907 bonds (distance) P-C4' energy: -127.164 flat angles C4'-P-C4' energy: -152.402 flat angles P-C4'-P energy: -87.025 tors. eta vs tors. theta energy: -185.359 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: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2110.213538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.213538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.213538 (E_RNA) where: Base-Base interactions energy: -1447.043 where: short stacking energy: -631.073 Base-Backbone interact. energy: -4.305 local terms energy: -658.865372 where: bonds (distance) C4'-P energy: -126.528 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -150.937 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -155.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1910.878533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.878533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.878533 (E_RNA) where: Base-Base interactions energy: -1285.740 where: short stacking energy: -574.587 Base-Backbone interact. energy: -1.932 local terms energy: -623.207380 where: bonds (distance) C4'-P energy: -118.941 bonds (distance) P-C4' energy: -130.685 flat angles C4'-P-C4' energy: -153.817 flat angles P-C4'-P energy: -77.620 tors. eta vs tors. theta energy: -142.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1845.208649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.208649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.208649 (E_RNA) where: Base-Base interactions energy: -1260.301 where: short stacking energy: -551.067 Base-Backbone interact. energy: 2.629 local terms energy: -587.536988 where: bonds (distance) C4'-P energy: -120.182 bonds (distance) P-C4' energy: -126.876 flat angles C4'-P-C4' energy: -131.062 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -134.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1848.800184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.800184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.800184 (E_RNA) where: Base-Base interactions energy: -1266.040 where: short stacking energy: -549.120 Base-Backbone interact. energy: 1.475 local terms energy: -584.234592 where: bonds (distance) C4'-P energy: -121.581 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -132.157 flat angles P-C4'-P energy: -70.909 tors. eta vs tors. theta energy: -139.353 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: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1561.593485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.593485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.593485 (E_RNA) where: Base-Base interactions energy: -1076.146 where: short stacking energy: -500.071 Base-Backbone interact. energy: -0.632 local terms energy: -484.815226 where: bonds (distance) C4'-P energy: -109.266 bonds (distance) P-C4' energy: -103.591 flat angles C4'-P-C4' energy: -108.606 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -95.944 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: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1066.129201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.129201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.129201 (E_RNA) where: Base-Base interactions energy: -650.603 where: short stacking energy: -311.327 Base-Backbone interact. energy: 1.901 local terms energy: -417.427176 where: bonds (distance) C4'-P energy: -105.406 bonds (distance) P-C4' energy: -126.371 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -64.854 tors. eta vs tors. theta energy: -20.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -778.600987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.600987 (E_RNA) where: Base-Base interactions energy: -401.302 where: short stacking energy: -238.167 Base-Backbone interact. energy: -1.446 local terms energy: -375.852984 where: bonds (distance) C4'-P energy: -95.426 bonds (distance) P-C4' energy: -118.069 flat angles C4'-P-C4' energy: -95.650 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2479.712060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.712060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.712060 (E_RNA) where: Base-Base interactions energy: -1728.260 where: short stacking energy: -744.409 Base-Backbone interact. energy: -3.725 local terms energy: -747.726531 where: bonds (distance) C4'-P energy: -144.754 bonds (distance) P-C4' energy: -138.474 flat angles C4'-P-C4' energy: -154.705 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -204.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2367.237738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.237738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.237738 (E_RNA) where: Base-Base interactions energy: -1672.562 where: short stacking energy: -709.721 Base-Backbone interact. energy: -1.914 local terms energy: -692.762170 where: bonds (distance) C4'-P energy: -111.039 bonds (distance) P-C4' energy: -139.791 flat angles C4'-P-C4' energy: -157.035 flat angles P-C4'-P energy: -100.040 tors. eta vs tors. theta energy: -184.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2181.782089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.782089 (E_RNA) where: Base-Base interactions energy: -1529.540 where: short stacking energy: -640.468 Base-Backbone interact. energy: 1.945 local terms energy: -654.187073 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -128.364 flat angles C4'-P-C4' energy: -145.780 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -167.978 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: 118 Temperature: 1.050000 Total energy: -2024.531239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.531239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.531239 (E_RNA) where: Base-Base interactions energy: -1401.048 where: short stacking energy: -634.379 Base-Backbone interact. energy: -1.179 local terms energy: -622.304576 where: bonds (distance) C4'-P energy: -109.307 bonds (distance) P-C4' energy: -130.066 flat angles C4'-P-C4' energy: -128.319 flat angles P-C4'-P energy: -88.896 tors. eta vs tors. theta energy: -165.717 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: 118 Temperature: 1.100000 Total energy: -1925.732755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.732755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.732755 (E_RNA) where: Base-Base interactions energy: -1299.166 where: short stacking energy: -576.445 Base-Backbone interact. energy: -4.597 local terms energy: -621.969691 where: bonds (distance) C4'-P energy: -124.213 bonds (distance) P-C4' energy: -135.726 flat angles C4'-P-C4' energy: -128.157 flat angles P-C4'-P energy: -82.636 tors. eta vs tors. theta energy: -151.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1815.432114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.432114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.432114 (E_RNA) where: Base-Base interactions energy: -1240.375 where: short stacking energy: -537.396 Base-Backbone interact. energy: -2.715 local terms energy: -572.341951 where: bonds (distance) C4'-P energy: -107.896 bonds (distance) P-C4' energy: -123.711 flat angles C4'-P-C4' energy: -136.848 flat angles P-C4'-P energy: -87.387 tors. eta vs tors. theta energy: -116.500 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: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1774.695826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.695826 (E_RNA) where: Base-Base interactions energy: -1234.583 where: short stacking energy: -519.767 Base-Backbone interact. energy: 2.566 local terms energy: -542.678148 where: bonds (distance) C4'-P energy: -111.644 bonds (distance) P-C4' energy: -113.551 flat angles C4'-P-C4' energy: -131.477 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -112.299 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: 118 Temperature: 1.250000 Total energy: -1594.302850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.302850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.302850 (E_RNA) where: Base-Base interactions energy: -1085.939 where: short stacking energy: -442.557 Base-Backbone interact. energy: -3.105 local terms energy: -505.258596 where: bonds (distance) C4'-P energy: -97.779 bonds (distance) P-C4' energy: -103.450 flat angles C4'-P-C4' energy: -121.569 flat angles P-C4'-P energy: -82.090 tors. eta vs tors. theta energy: -100.370 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: 118 Temperature: 1.300000 Total energy: -1065.930340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.930340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.930340 (E_RNA) where: Base-Base interactions energy: -652.971 where: short stacking energy: -302.065 Base-Backbone interact. energy: -1.733 local terms energy: -411.226199 where: bonds (distance) C4'-P energy: -88.384 bonds (distance) P-C4' energy: -102.661 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -76.029 tors. eta vs tors. theta energy: -35.173 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: 118 Temperature: 1.350000 Total energy: -779.433959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.433959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.433959 (E_RNA) where: Base-Base interactions energy: -426.284 where: short stacking energy: -250.422 Base-Backbone interact. energy: -0.518 local terms energy: -352.631370 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -112.856 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -66.348 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2476.343607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.343607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.343607 (E_RNA) where: Base-Base interactions energy: -1711.241 where: short stacking energy: -756.096 Base-Backbone interact. energy: -1.956 local terms energy: -763.146625 where: bonds (distance) C4'-P energy: -134.393 bonds (distance) P-C4' energy: -142.010 flat angles C4'-P-C4' energy: -169.195 flat angles P-C4'-P energy: -110.898 tors. eta vs tors. theta energy: -206.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2353.044411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.044411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.044411 (E_RNA) where: Base-Base interactions energy: -1633.949 where: short stacking energy: -697.861 Base-Backbone interact. energy: -2.551 local terms energy: -716.545190 where: bonds (distance) C4'-P energy: -135.432 bonds (distance) P-C4' energy: -150.034 flat angles C4'-P-C4' energy: -153.612 flat angles P-C4'-P energy: -90.078 tors. eta vs tors. theta energy: -187.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2185.118430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.118430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.118430 (E_RNA) where: Base-Base interactions energy: -1517.591 where: short stacking energy: -651.912 Base-Backbone interact. energy: -0.462 local terms energy: -667.065512 where: bonds (distance) C4'-P energy: -121.219 bonds (distance) P-C4' energy: -137.858 flat angles C4'-P-C4' energy: -142.231 flat angles P-C4'-P energy: -90.769 tors. eta vs tors. theta energy: -174.989 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: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2017.965733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.965733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.965733 (E_RNA) where: Base-Base interactions energy: -1366.999 where: short stacking energy: -598.787 Base-Backbone interact. energy: -2.381 local terms energy: -648.586093 where: bonds (distance) C4'-P energy: -127.643 bonds (distance) P-C4' energy: -128.533 flat angles C4'-P-C4' energy: -151.548 flat angles P-C4'-P energy: -88.447 tors. eta vs tors. theta energy: -152.415 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: 7 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1928.812265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.812265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.812265 (E_RNA) where: Base-Base interactions energy: -1334.719 where: short stacking energy: -560.434 Base-Backbone interact. energy: -4.427 local terms energy: -589.665564 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -115.535 flat angles C4'-P-C4' energy: -123.799 flat angles P-C4'-P energy: -94.670 tors. eta vs tors. theta energy: -149.266 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: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1862.112522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.112522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.112522 (E_RNA) where: Base-Base interactions energy: -1268.251 where: short stacking energy: -549.538 Base-Backbone interact. energy: -4.451 local terms energy: -589.410547 where: bonds (distance) C4'-P energy: -113.157 bonds (distance) P-C4' energy: -126.798 flat angles C4'-P-C4' energy: -132.828 flat angles P-C4'-P energy: -84.745 tors. eta vs tors. theta energy: -131.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1766.693442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.693442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.693442 (E_RNA) where: Base-Base interactions energy: -1216.868 where: short stacking energy: -490.983 Base-Backbone interact. energy: -3.479 local terms energy: -546.346253 where: bonds (distance) C4'-P energy: -100.986 bonds (distance) P-C4' energy: -119.038 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -115.021 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: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1677.943858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.943858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.943858 (E_RNA) where: Base-Base interactions energy: -1138.889 where: short stacking energy: -500.584 Base-Backbone interact. energy: -0.835 local terms energy: -538.220449 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -138.660 flat angles C4'-P-C4' energy: -119.644 flat angles P-C4'-P energy: -89.926 tors. eta vs tors. theta energy: -114.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1076.030440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.030440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.030440 (E_RNA) where: Base-Base interactions energy: -664.548 where: short stacking energy: -312.255 Base-Backbone interact. energy: 5.696 local terms energy: -417.177839 where: bonds (distance) C4'-P energy: -107.577 bonds (distance) P-C4' energy: -116.368 flat angles C4'-P-C4' energy: -108.327 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: -36.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -817.697585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.697585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.697585 (E_RNA) where: Base-Base interactions energy: -438.462 where: short stacking energy: -255.057 Base-Backbone interact. energy: 6.904 local terms energy: -386.139581 where: bonds (distance) C4'-P energy: -97.044 bonds (distance) P-C4' energy: -115.527 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -65.635 tors. eta vs tors. theta energy: -10.810 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: 120 Temperature: 0.900000 Total energy: -2478.594150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.594150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.594150 (E_RNA) where: Base-Base interactions energy: -1724.977 where: short stacking energy: -753.233 Base-Backbone interact. energy: -5.244 local terms energy: -748.372931 where: bonds (distance) C4'-P energy: -141.065 bonds (distance) P-C4' energy: -141.425 flat angles C4'-P-C4' energy: -163.891 flat angles P-C4'-P energy: -101.375 tors. eta vs tors. theta energy: -200.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2404.782642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.782642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.782642 (E_RNA) where: Base-Base interactions energy: -1706.196 where: short stacking energy: -703.326 Base-Backbone interact. energy: -1.533 local terms energy: -697.053945 where: bonds (distance) C4'-P energy: -145.290 bonds (distance) P-C4' energy: -124.719 flat angles C4'-P-C4' energy: -146.327 flat angles P-C4'-P energy: -98.893 tors. eta vs tors. theta energy: -181.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2167.253254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.253254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.253254 (E_RNA) where: Base-Base interactions energy: -1485.949 where: short stacking energy: -622.425 Base-Backbone interact. energy: -3.653 local terms energy: -677.650617 where: bonds (distance) C4'-P energy: -114.824 bonds (distance) P-C4' energy: -140.401 flat angles C4'-P-C4' energy: -162.214 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -164.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1963.456000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.456000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.456000 (E_RNA) where: Base-Base interactions energy: -1329.744 where: short stacking energy: -592.226 Base-Backbone interact. energy: -2.103 local terms energy: -631.609537 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -125.269 flat angles C4'-P-C4' energy: -137.917 flat angles P-C4'-P energy: -92.619 tors. eta vs tors. theta energy: -150.178 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: 7 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1946.776548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.776548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.776548 (E_RNA) where: Base-Base interactions energy: -1328.614 where: short stacking energy: -563.683 Base-Backbone interact. energy: -0.588 local terms energy: -617.575093 where: bonds (distance) C4'-P energy: -120.737 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -97.631 tors. eta vs tors. theta energy: -138.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1853.893680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.893680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.893680 (E_RNA) where: Base-Base interactions energy: -1270.260 where: short stacking energy: -574.424 Base-Backbone interact. energy: -3.134 local terms energy: -580.498750 where: bonds (distance) C4'-P energy: -94.623 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -131.944 flat angles P-C4'-P energy: -81.048 tors. eta vs tors. theta energy: -138.022 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: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1857.422791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.422791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.422791 (E_RNA) where: Base-Base interactions energy: -1253.301 where: short stacking energy: -566.962 Base-Backbone interact. energy: 1.463 local terms energy: -605.585692 where: bonds (distance) C4'-P energy: -114.242 bonds (distance) P-C4' energy: -118.349 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -90.328 tors. eta vs tors. theta energy: -146.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1639.079818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.079818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.079818 (E_RNA) where: Base-Base interactions energy: -1107.087 where: short stacking energy: -471.454 Base-Backbone interact. energy: 3.770 local terms energy: -535.762272 where: bonds (distance) C4'-P energy: -105.989 bonds (distance) P-C4' energy: -112.617 flat angles C4'-P-C4' energy: -123.148 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -110.955 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: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1053.409959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.409959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.409959 (E_RNA) where: Base-Base interactions energy: -612.239 where: short stacking energy: -307.534 Base-Backbone interact. energy: -0.631 local terms energy: -440.539892 where: bonds (distance) C4'-P energy: -107.876 bonds (distance) P-C4' energy: -121.556 flat angles C4'-P-C4' energy: -120.347 flat angles P-C4'-P energy: -62.446 tors. eta vs tors. theta energy: -28.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -875.234745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.234745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.234745 (E_RNA) where: Base-Base interactions energy: -492.619 where: short stacking energy: -249.415 Base-Backbone interact. energy: 1.500 local terms energy: -384.116323 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -112.054 flat angles C4'-P-C4' energy: -92.741 flat angles P-C4'-P energy: -57.875 tors. eta vs tors. theta energy: -3.269 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: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2479.342268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.342268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.342268 (E_RNA) where: Base-Base interactions energy: -1720.606 where: short stacking energy: -750.933 Base-Backbone interact. energy: -3.442 local terms energy: -755.294366 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -152.297 flat angles C4'-P-C4' energy: -154.727 flat angles P-C4'-P energy: -103.103 tors. eta vs tors. theta energy: -209.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2397.307506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.307506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.307506 (E_RNA) where: Base-Base interactions energy: -1715.052 where: short stacking energy: -697.206 Base-Backbone interact. energy: -2.393 local terms energy: -679.862571 where: bonds (distance) C4'-P energy: -131.882 bonds (distance) P-C4' energy: -117.225 flat angles C4'-P-C4' energy: -136.159 flat angles P-C4'-P energy: -98.131 tors. eta vs tors. theta energy: -196.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2155.078966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.078966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.078966 (E_RNA) where: Base-Base interactions energy: -1503.388 where: short stacking energy: -635.768 Base-Backbone interact. energy: 1.012 local terms energy: -652.703301 where: bonds (distance) C4'-P energy: -125.576 bonds (distance) P-C4' energy: -129.086 flat angles C4'-P-C4' energy: -153.656 flat angles P-C4'-P energy: -81.451 tors. eta vs tors. theta energy: -162.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1960.393279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.393279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.393279 (E_RNA) where: Base-Base interactions energy: -1348.871 where: short stacking energy: -625.029 Base-Backbone interact. energy: 0.123 local terms energy: -611.645618 where: bonds (distance) C4'-P energy: -124.320 bonds (distance) P-C4' energy: -107.679 flat angles C4'-P-C4' energy: -151.512 flat angles P-C4'-P energy: -66.101 tors. eta vs tors. theta energy: -162.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1915.345022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.345022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.345022 (E_RNA) where: Base-Base interactions energy: -1339.954 where: short stacking energy: -574.007 Base-Backbone interact. energy: 6.061 local terms energy: -581.452107 where: bonds (distance) C4'-P energy: -112.743 bonds (distance) P-C4' energy: -118.734 flat angles C4'-P-C4' energy: -132.004 flat angles P-C4'-P energy: -80.264 tors. eta vs tors. theta energy: -137.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1900.110775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.110775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.110775 (E_RNA) where: Base-Base interactions energy: -1299.669 where: short stacking energy: -571.242 Base-Backbone interact. energy: 2.350 local terms energy: -602.792049 where: bonds (distance) C4'-P energy: -110.605 bonds (distance) P-C4' energy: -124.403 flat angles C4'-P-C4' energy: -131.450 flat angles P-C4'-P energy: -95.903 tors. eta vs tors. theta energy: -140.432 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: 121 Temperature: 1.200000 Total energy: -1795.044562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.044562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.044562 (E_RNA) where: Base-Base interactions energy: -1242.424 where: short stacking energy: -538.882 Base-Backbone interact. energy: -1.450 local terms energy: -551.170858 where: bonds (distance) C4'-P energy: -108.032 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -130.835 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -137.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1609.486269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.486269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.486269 (E_RNA) where: Base-Base interactions energy: -1060.302 where: short stacking energy: -466.640 Base-Backbone interact. energy: -2.953 local terms energy: -546.231640 where: bonds (distance) C4'-P energy: -124.004 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -117.719 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -104.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1054.704182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.704182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.704182 (E_RNA) where: Base-Base interactions energy: -651.684 where: short stacking energy: -289.599 Base-Backbone interact. energy: 2.165 local terms energy: -405.184828 where: bonds (distance) C4'-P energy: -93.418 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -94.312 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -36.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -932.548238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.548238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.548238 (E_RNA) where: Base-Base interactions energy: -543.343 where: short stacking energy: -288.089 Base-Backbone interact. energy: 1.808 local terms energy: -391.013205 where: bonds (distance) C4'-P energy: -93.335 bonds (distance) P-C4' energy: -132.269 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -48.376 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: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2469.924409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.924409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.924409 (E_RNA) where: Base-Base interactions energy: -1712.469 where: short stacking energy: -744.722 Base-Backbone interact. energy: -3.824 local terms energy: -753.630911 where: bonds (distance) C4'-P energy: -145.648 bonds (distance) P-C4' energy: -138.301 flat angles C4'-P-C4' energy: -166.316 flat angles P-C4'-P energy: -104.899 tors. eta vs tors. theta energy: -198.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2406.072270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.072270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.072270 (E_RNA) where: Base-Base interactions energy: -1687.459 where: short stacking energy: -669.542 Base-Backbone interact. energy: -0.502 local terms energy: -718.111862 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -109.101 tors. eta vs tors. theta energy: -180.893 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: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2164.603425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.603425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.603425 (E_RNA) where: Base-Base interactions energy: -1488.933 where: short stacking energy: -652.711 Base-Backbone interact. energy: -2.024 local terms energy: -673.646406 where: bonds (distance) C4'-P energy: -127.766 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -145.885 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -172.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2010.770205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.770205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.770205 (E_RNA) where: Base-Base interactions energy: -1356.312 where: short stacking energy: -633.730 Base-Backbone interact. energy: -4.273 local terms energy: -650.184926 where: bonds (distance) C4'-P energy: -125.916 bonds (distance) P-C4' energy: -113.553 flat angles C4'-P-C4' energy: -141.432 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -170.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1922.579261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.579261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.579261 (E_RNA) where: Base-Base interactions energy: -1322.515 where: short stacking energy: -539.607 Base-Backbone interact. energy: 1.348 local terms energy: -601.411817 where: bonds (distance) C4'-P energy: -134.632 bonds (distance) P-C4' energy: -127.416 flat angles C4'-P-C4' energy: -127.979 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -123.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1882.263080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.263080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.263080 (E_RNA) where: Base-Base interactions energy: -1331.647 where: short stacking energy: -533.429 Base-Backbone interact. energy: -2.845 local terms energy: -547.771018 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -116.790 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -133.792 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: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1758.779724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.779724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.779724 (E_RNA) where: Base-Base interactions energy: -1181.030 where: short stacking energy: -524.331 Base-Backbone interact. energy: -2.147 local terms energy: -575.602852 where: bonds (distance) C4'-P energy: -109.795 bonds (distance) P-C4' energy: -119.807 flat angles C4'-P-C4' energy: -131.334 flat angles P-C4'-P energy: -94.806 tors. eta vs tors. theta energy: -119.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1696.358280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.358280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.358280 (E_RNA) where: Base-Base interactions energy: -1147.227 where: short stacking energy: -458.472 Base-Backbone interact. energy: -0.635 local terms energy: -548.496025 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -129.237 flat angles C4'-P-C4' energy: -134.233 flat angles P-C4'-P energy: -60.320 tors. eta vs tors. theta energy: -110.196 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: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1218.560865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.560865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.560865 (E_RNA) where: Base-Base interactions energy: -772.299 where: short stacking energy: -354.482 Base-Backbone interact. energy: -3.739 local terms energy: -442.522918 where: bonds (distance) C4'-P energy: -117.317 bonds (distance) P-C4' energy: -119.075 flat angles C4'-P-C4' energy: -87.994 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -51.213 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: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -918.562700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.562700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.562700 (E_RNA) where: Base-Base interactions energy: -510.369 where: short stacking energy: -252.831 Base-Backbone interact. energy: 2.831 local terms energy: -411.024613 where: bonds (distance) C4'-P energy: -115.594 bonds (distance) P-C4' energy: -121.697 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -67.228 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: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2485.944753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.944753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.944753 (E_RNA) where: Base-Base interactions energy: -1745.172 where: short stacking energy: -763.732 Base-Backbone interact. energy: -1.342 local terms energy: -739.430016 where: bonds (distance) C4'-P energy: -145.447 bonds (distance) P-C4' energy: -130.441 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -208.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2401.557610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.557610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.557610 (E_RNA) where: Base-Base interactions energy: -1697.751 where: short stacking energy: -704.862 Base-Backbone interact. energy: -4.398 local terms energy: -699.408255 where: bonds (distance) C4'-P energy: -130.683 bonds (distance) P-C4' energy: -135.093 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -89.952 tors. eta vs tors. theta energy: -190.698 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: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2129.300157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.300157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.300157 (E_RNA) where: Base-Base interactions energy: -1476.999 where: short stacking energy: -645.345 Base-Backbone interact. energy: -3.844 local terms energy: -648.456784 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -122.004 flat angles C4'-P-C4' energy: -129.838 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -165.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2003.604500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.604500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.604500 (E_RNA) where: Base-Base interactions energy: -1348.944 where: short stacking energy: -651.293 Base-Backbone interact. energy: -2.009 local terms energy: -652.651458 where: bonds (distance) C4'-P energy: -121.296 bonds (distance) P-C4' energy: -130.931 flat angles C4'-P-C4' energy: -136.249 flat angles P-C4'-P energy: -97.292 tors. eta vs tors. theta energy: -166.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1929.269415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.269415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.269415 (E_RNA) where: Base-Base interactions energy: -1366.729 where: short stacking energy: -581.274 Base-Backbone interact. energy: -1.676 local terms energy: -560.864899 where: bonds (distance) C4'-P energy: -86.254 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -74.241 tors. eta vs tors. theta energy: -141.286 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1894.082959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.082959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.082959 (E_RNA) where: Base-Base interactions energy: -1307.840 where: short stacking energy: -577.634 Base-Backbone interact. energy: -1.184 local terms energy: -585.059407 where: bonds (distance) C4'-P energy: -118.810 bonds (distance) P-C4' energy: -107.400 flat angles C4'-P-C4' energy: -127.754 flat angles P-C4'-P energy: -94.443 tors. eta vs tors. theta energy: -136.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1698.037234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.037234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.037234 (E_RNA) where: Base-Base interactions energy: -1115.782 where: short stacking energy: -479.416 Base-Backbone interact. energy: -0.997 local terms energy: -581.258010 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -130.825 flat angles C4'-P-C4' energy: -126.322 flat angles P-C4'-P energy: -81.960 tors. eta vs tors. theta energy: -121.687 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: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1574.627181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.627181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.627181 (E_RNA) where: Base-Base interactions energy: -1052.737 where: short stacking energy: -429.869 Base-Backbone interact. energy: -2.892 local terms energy: -518.997481 where: bonds (distance) C4'-P energy: -112.898 bonds (distance) P-C4' energy: -114.344 flat angles C4'-P-C4' energy: -115.335 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -95.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1119.967097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.967097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.967097 (E_RNA) where: Base-Base interactions energy: -677.670 where: short stacking energy: -314.268 Base-Backbone interact. energy: 3.154 local terms energy: -445.451328 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -105.172 flat angles C4'-P-C4' energy: -120.585 flat angles P-C4'-P energy: -69.283 tors. eta vs tors. theta energy: -45.548 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: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -904.085935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.085935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.085935 (E_RNA) where: Base-Base interactions energy: -503.785 where: short stacking energy: -276.536 Base-Backbone interact. energy: -0.813 local terms energy: -399.488119 where: bonds (distance) C4'-P energy: -87.875 bonds (distance) P-C4' energy: -124.078 flat angles C4'-P-C4' energy: -111.461 flat angles P-C4'-P energy: -61.069 tors. eta vs tors. theta energy: -15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2510.509130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.509130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.509130 (E_RNA) where: Base-Base interactions energy: -1752.928 where: short stacking energy: -775.477 Base-Backbone interact. energy: 2.085 local terms energy: -759.666053 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -131.042 flat angles C4'-P-C4' energy: -162.557 flat angles P-C4'-P energy: -109.373 tors. eta vs tors. theta energy: -214.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2386.074553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.074553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.074553 (E_RNA) where: Base-Base interactions energy: -1693.440 where: short stacking energy: -695.969 Base-Backbone interact. energy: 2.600 local terms energy: -695.234382 where: bonds (distance) C4'-P energy: -135.802 bonds (distance) P-C4' energy: -117.171 flat angles C4'-P-C4' energy: -157.819 flat angles P-C4'-P energy: -94.276 tors. eta vs tors. theta energy: -190.166 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: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2166.437301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.437301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.437301 (E_RNA) where: Base-Base interactions energy: -1491.213 where: short stacking energy: -636.058 Base-Backbone interact. energy: -6.547 local terms energy: -668.676835 where: bonds (distance) C4'-P energy: -136.534 bonds (distance) P-C4' energy: -139.931 flat angles C4'-P-C4' energy: -146.691 flat angles P-C4'-P energy: -88.033 tors. eta vs tors. theta energy: -157.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1962.477740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.477740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.477740 (E_RNA) where: Base-Base interactions energy: -1315.879 where: short stacking energy: -601.888 Base-Backbone interact. energy: -3.677 local terms energy: -642.921826 where: bonds (distance) C4'-P energy: -136.391 bonds (distance) P-C4' energy: -122.927 flat angles C4'-P-C4' energy: -132.113 flat angles P-C4'-P energy: -92.628 tors. eta vs tors. theta energy: -158.863 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: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1948.495182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.495182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.495182 (E_RNA) where: Base-Base interactions energy: -1325.061 where: short stacking energy: -565.531 Base-Backbone interact. energy: -3.648 local terms energy: -619.786081 where: bonds (distance) C4'-P energy: -105.076 bonds (distance) P-C4' energy: -133.174 flat angles C4'-P-C4' energy: -139.230 flat angles P-C4'-P energy: -101.656 tors. eta vs tors. theta energy: -140.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1921.057722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.057722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.057722 (E_RNA) where: Base-Base interactions energy: -1327.278 where: short stacking energy: -588.149 Base-Backbone interact. energy: 6.402 local terms energy: -600.182546 where: bonds (distance) C4'-P energy: -99.205 bonds (distance) P-C4' energy: -134.165 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -98.963 tors. eta vs tors. theta energy: -138.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1764.988436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.988436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.988436 (E_RNA) where: Base-Base interactions energy: -1219.690 where: short stacking energy: -529.443 Base-Backbone interact. energy: -2.876 local terms energy: -542.421842 where: bonds (distance) C4'-P energy: -105.456 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -128.188 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: -112.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1621.610584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.610584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.610584 (E_RNA) where: Base-Base interactions energy: -1116.235 where: short stacking energy: -476.969 Base-Backbone interact. energy: -1.322 local terms energy: -504.053805 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -112.909 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -87.674 tors. eta vs tors. theta energy: -97.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1086.072553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.072553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.072553 (E_RNA) where: Base-Base interactions energy: -668.930 where: short stacking energy: -328.459 Base-Backbone interact. energy: -0.743 local terms energy: -416.399814 where: bonds (distance) C4'-P energy: -97.819 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -117.011 flat angles P-C4'-P energy: -61.976 tors. eta vs tors. theta energy: -31.795 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: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -935.984674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.984674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.984674 (E_RNA) where: Base-Base interactions energy: -548.057 where: short stacking energy: -260.168 Base-Backbone interact. energy: -2.483 local terms energy: -385.445288 where: bonds (distance) C4'-P energy: -107.473 bonds (distance) P-C4' energy: -107.985 flat angles C4'-P-C4' energy: -102.513 flat angles P-C4'-P energy: -74.440 tors. eta vs tors. theta energy: 6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2497.688688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.688688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.688688 (E_RNA) where: Base-Base interactions energy: -1738.222 where: short stacking energy: -761.653 Base-Backbone interact. energy: 1.186 local terms energy: -760.653066 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -143.686 flat angles C4'-P-C4' energy: -174.166 flat angles P-C4'-P energy: -113.510 tors. eta vs tors. theta energy: -211.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2377.842331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.842331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.842331 (E_RNA) where: Base-Base interactions energy: -1662.470 where: short stacking energy: -696.236 Base-Backbone interact. energy: -4.528 local terms energy: -710.844930 where: bonds (distance) C4'-P energy: -111.676 bonds (distance) P-C4' energy: -143.100 flat angles C4'-P-C4' energy: -161.678 flat angles P-C4'-P energy: -111.326 tors. eta vs tors. theta energy: -183.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2165.418992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.418992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.418992 (E_RNA) where: Base-Base interactions energy: -1525.245 where: short stacking energy: -634.448 Base-Backbone interact. energy: -1.430 local terms energy: -638.744169 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -115.399 flat angles C4'-P-C4' energy: -155.054 flat angles P-C4'-P energy: -95.781 tors. eta vs tors. theta energy: -156.593 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: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2044.901247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.901247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.901247 (E_RNA) where: Base-Base interactions energy: -1390.603 where: short stacking energy: -622.823 Base-Backbone interact. energy: -2.292 local terms energy: -652.005775 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -128.984 flat angles C4'-P-C4' energy: -139.201 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -168.256 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1953.078367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.078367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.078367 (E_RNA) where: Base-Base interactions energy: -1347.191 where: short stacking energy: -603.127 Base-Backbone interact. energy: -3.732 local terms energy: -602.154856 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -112.919 flat angles C4'-P-C4' energy: -138.261 flat angles P-C4'-P energy: -92.130 tors. eta vs tors. theta energy: -140.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1957.252902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.252902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.252902 (E_RNA) where: Base-Base interactions energy: -1388.885 where: short stacking energy: -573.457 Base-Backbone interact. energy: 4.935 local terms energy: -573.303300 where: bonds (distance) C4'-P energy: -113.536 bonds (distance) P-C4' energy: -110.008 flat angles C4'-P-C4' energy: -134.209 flat angles P-C4'-P energy: -70.640 tors. eta vs tors. theta energy: -144.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1771.939022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.939022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.939022 (E_RNA) where: Base-Base interactions energy: -1212.938 where: short stacking energy: -520.704 Base-Backbone interact. energy: -2.823 local terms energy: -556.178103 where: bonds (distance) C4'-P energy: -115.333 bonds (distance) P-C4' energy: -100.174 flat angles C4'-P-C4' energy: -138.718 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -117.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1572.665719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.665719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.665719 (E_RNA) where: Base-Base interactions energy: -1042.022 where: short stacking energy: -432.397 Base-Backbone interact. energy: 4.500 local terms energy: -535.144077 where: bonds (distance) C4'-P energy: -97.716 bonds (distance) P-C4' energy: -127.424 flat angles C4'-P-C4' energy: -131.163 flat angles P-C4'-P energy: -70.302 tors. eta vs tors. theta energy: -108.539 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: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1123.198496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.198496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.198496 (E_RNA) where: Base-Base interactions energy: -714.053 where: short stacking energy: -358.430 Base-Backbone interact. energy: 2.444 local terms energy: -411.589339 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -97.095 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -45.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -923.264686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.264686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.264686 (E_RNA) where: Base-Base interactions energy: -524.371 where: short stacking energy: -236.491 Base-Backbone interact. energy: 0.123 local terms energy: -399.016209 where: bonds (distance) C4'-P energy: -103.236 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -12.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2519.533003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.533003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.533003 (E_RNA) where: Base-Base interactions energy: -1766.531 where: short stacking energy: -789.024 Base-Backbone interact. energy: 1.761 local terms energy: -754.762470 where: bonds (distance) C4'-P energy: -139.591 bonds (distance) P-C4' energy: -136.009 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -104.824 tors. eta vs tors. theta energy: -216.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2387.494306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.494306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.494306 (E_RNA) where: Base-Base interactions energy: -1684.956 where: short stacking energy: -674.694 Base-Backbone interact. energy: -2.423 local terms energy: -700.115192 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -112.900 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -111.925 tors. eta vs tors. theta energy: -193.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2237.917616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.917616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.917616 (E_RNA) where: Base-Base interactions energy: -1543.933 where: short stacking energy: -667.673 Base-Backbone interact. energy: -2.912 local terms energy: -691.073311 where: bonds (distance) C4'-P energy: -134.530 bonds (distance) P-C4' energy: -124.562 flat angles C4'-P-C4' energy: -148.148 flat angles P-C4'-P energy: -106.494 tors. eta vs tors. theta energy: -177.339 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: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2036.469489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.469489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.469489 (E_RNA) where: Base-Base interactions energy: -1399.244 where: short stacking energy: -614.261 Base-Backbone interact. energy: -3.232 local terms energy: -633.993174 where: bonds (distance) C4'-P energy: -106.149 bonds (distance) P-C4' energy: -121.926 flat angles C4'-P-C4' energy: -146.116 flat angles P-C4'-P energy: -93.599 tors. eta vs tors. theta energy: -166.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1959.056599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.056599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.056599 (E_RNA) where: Base-Base interactions energy: -1356.449 where: short stacking energy: -580.326 Base-Backbone interact. energy: 0.588 local terms energy: -603.195277 where: bonds (distance) C4'-P energy: -116.542 bonds (distance) P-C4' energy: -122.444 flat angles C4'-P-C4' energy: -139.552 flat angles P-C4'-P energy: -78.713 tors. eta vs tors. theta energy: -145.945 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: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1860.783006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.783006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.783006 (E_RNA) where: Base-Base interactions energy: -1286.151 where: short stacking energy: -561.118 Base-Backbone interact. energy: -1.196 local terms energy: -573.436176 where: bonds (distance) C4'-P energy: -113.390 bonds (distance) P-C4' energy: -120.631 flat angles C4'-P-C4' energy: -130.653 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -127.733 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: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1775.219366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.219366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.219366 (E_RNA) where: Base-Base interactions energy: -1197.416 where: short stacking energy: -524.758 Base-Backbone interact. energy: -3.890 local terms energy: -573.913565 where: bonds (distance) C4'-P energy: -110.703 bonds (distance) P-C4' energy: -126.119 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -84.773 tors. eta vs tors. theta energy: -117.647 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: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1644.686810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.686810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.686810 (E_RNA) where: Base-Base interactions energy: -1095.340 where: short stacking energy: -477.262 Base-Backbone interact. energy: 2.619 local terms energy: -551.966393 where: bonds (distance) C4'-P energy: -119.984 bonds (distance) P-C4' energy: -121.203 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: -118.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1168.549066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.549066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.549066 (E_RNA) where: Base-Base interactions energy: -754.912 where: short stacking energy: -342.186 Base-Backbone interact. energy: 9.738 local terms energy: -423.375162 where: bonds (distance) C4'-P energy: -98.628 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -84.274 flat angles P-C4'-P energy: -60.485 tors. eta vs tors. theta energy: -52.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -889.050062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.050062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.050062 (E_RNA) where: Base-Base interactions energy: -471.580 where: short stacking energy: -238.138 Base-Backbone interact. energy: -0.216 local terms energy: -417.253584 where: bonds (distance) C4'-P energy: -122.934 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: 1.615 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: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2486.466291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.466291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.466291 (E_RNA) where: Base-Base interactions energy: -1733.018 where: short stacking energy: -761.258 Base-Backbone interact. energy: 1.240 local terms energy: -754.687494 where: bonds (distance) C4'-P energy: -122.744 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -162.569 flat angles P-C4'-P energy: -118.886 tors. eta vs tors. theta energy: -212.506 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: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2386.545910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.545910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.545910 (E_RNA) where: Base-Base interactions energy: -1683.054 where: short stacking energy: -677.827 Base-Backbone interact. energy: 5.501 local terms energy: -708.993717 where: bonds (distance) C4'-P energy: -122.829 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -119.132 tors. eta vs tors. theta energy: -188.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2188.499721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.499721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.499721 (E_RNA) where: Base-Base interactions energy: -1499.773 where: short stacking energy: -636.161 Base-Backbone interact. energy: -4.842 local terms energy: -683.884567 where: bonds (distance) C4'-P energy: -131.771 bonds (distance) P-C4' energy: -138.493 flat angles C4'-P-C4' energy: -145.277 flat angles P-C4'-P energy: -94.803 tors. eta vs tors. theta energy: -173.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2044.304402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.304402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.304402 (E_RNA) where: Base-Base interactions energy: -1386.930 where: short stacking energy: -579.995 Base-Backbone interact. energy: -2.811 local terms energy: -654.563356 where: bonds (distance) C4'-P energy: -123.142 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -148.198 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -152.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1911.135182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.135182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.135182 (E_RNA) where: Base-Base interactions energy: -1326.166 where: short stacking energy: -595.656 Base-Backbone interact. energy: -2.897 local terms energy: -582.072099 where: bonds (distance) C4'-P energy: -111.276 bonds (distance) P-C4' energy: -120.431 flat angles C4'-P-C4' energy: -120.327 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -143.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1925.391587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.391587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.391587 (E_RNA) where: Base-Base interactions energy: -1317.684 where: short stacking energy: -589.785 Base-Backbone interact. energy: -0.650 local terms energy: -607.057865 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -125.000 flat angles C4'-P-C4' energy: -147.779 flat angles P-C4'-P energy: -84.783 tors. eta vs tors. theta energy: -130.094 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: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1783.279746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.279746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.279746 (E_RNA) where: Base-Base interactions energy: -1203.598 where: short stacking energy: -541.616 Base-Backbone interact. energy: -0.176 local terms energy: -579.506044 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -98.202 flat angles C4'-P-C4' energy: -134.099 flat angles P-C4'-P energy: -95.344 tors. eta vs tors. theta energy: -113.112 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: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1606.311912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.311912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.311912 (E_RNA) where: Base-Base interactions energy: -1107.846 where: short stacking energy: -472.118 Base-Backbone interact. energy: -3.511 local terms energy: -494.954765 where: bonds (distance) C4'-P energy: -112.150 bonds (distance) P-C4' energy: -108.404 flat angles C4'-P-C4' energy: -121.014 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: -89.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1245.334536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.334536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.334536 (E_RNA) where: Base-Base interactions energy: -780.124 where: short stacking energy: -370.218 Base-Backbone interact. energy: -0.331 local terms energy: -464.879505 where: bonds (distance) C4'-P energy: -112.433 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -113.772 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -75.457 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: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -844.113021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.113021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.113021 (E_RNA) where: Base-Base interactions energy: -506.461 where: short stacking energy: -279.641 Base-Backbone interact. energy: -1.342 local terms energy: -336.310570 where: bonds (distance) C4'-P energy: -99.392 bonds (distance) P-C4' energy: -113.662 flat angles C4'-P-C4' energy: -85.223 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: 7.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2510.992570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.992570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.992570 (E_RNA) where: Base-Base interactions energy: -1761.714 where: short stacking energy: -766.257 Base-Backbone interact. energy: -4.440 local terms energy: -744.838312 where: bonds (distance) C4'-P energy: -141.746 bonds (distance) P-C4' energy: -138.597 flat angles C4'-P-C4' energy: -157.986 flat angles P-C4'-P energy: -100.300 tors. eta vs tors. theta energy: -206.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2411.524298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.524298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.524298 (E_RNA) where: Base-Base interactions energy: -1698.072 where: short stacking energy: -703.776 Base-Backbone interact. energy: -4.195 local terms energy: -709.256928 where: bonds (distance) C4'-P energy: -128.259 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -154.809 flat angles P-C4'-P energy: -103.146 tors. eta vs tors. theta energy: -190.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2211.376055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.376055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.376055 (E_RNA) where: Base-Base interactions energy: -1530.263 where: short stacking energy: -652.589 Base-Backbone interact. energy: -4.232 local terms energy: -676.880825 where: bonds (distance) C4'-P energy: -116.146 bonds (distance) P-C4' energy: -134.553 flat angles C4'-P-C4' energy: -147.975 flat angles P-C4'-P energy: -100.321 tors. eta vs tors. theta energy: -177.886 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: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2028.253453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.253453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.253453 (E_RNA) where: Base-Base interactions energy: -1381.487 where: short stacking energy: -591.139 Base-Backbone interact. energy: -3.712 local terms energy: -643.319669 where: bonds (distance) C4'-P energy: -118.208 bonds (distance) P-C4' energy: -116.814 flat angles C4'-P-C4' energy: -150.345 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -158.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.265 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1977.931920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.931920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.931920 (E_RNA) where: Base-Base interactions energy: -1357.939 where: short stacking energy: -609.505 Base-Backbone interact. energy: -0.562 local terms energy: -619.431798 where: bonds (distance) C4'-P energy: -135.113 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -141.563 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -137.543 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: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1874.090540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.090540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.090540 (E_RNA) where: Base-Base interactions energy: -1282.496 where: short stacking energy: -554.034 Base-Backbone interact. energy: -0.227 local terms energy: -591.367550 where: bonds (distance) C4'-P energy: -111.883 bonds (distance) P-C4' energy: -126.459 flat angles C4'-P-C4' energy: -128.070 flat angles P-C4'-P energy: -85.866 tors. eta vs tors. theta energy: -139.090 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: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1754.140582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.140582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.140582 (E_RNA) where: Base-Base interactions energy: -1178.633 where: short stacking energy: -501.959 Base-Backbone interact. energy: -2.663 local terms energy: -572.844621 where: bonds (distance) C4'-P energy: -114.376 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -128.302 flat angles P-C4'-P energy: -83.752 tors. eta vs tors. theta energy: -114.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1695.953428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.953428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.953428 (E_RNA) where: Base-Base interactions energy: -1138.138 where: short stacking energy: -506.208 Base-Backbone interact. energy: 0.098 local terms energy: -557.912857 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -124.278 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -91.842 tors. eta vs tors. theta energy: -115.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1233.144562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.144562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.144562 (E_RNA) where: Base-Base interactions energy: -775.127 where: short stacking energy: -351.021 Base-Backbone interact. energy: -1.450 local terms energy: -456.567790 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -111.960 flat angles C4'-P-C4' energy: -105.879 flat angles P-C4'-P energy: -66.378 tors. eta vs tors. theta energy: -54.507 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: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -847.819695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.819695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.819695 (E_RNA) where: Base-Base interactions energy: -481.953 where: short stacking energy: -253.756 Base-Backbone interact. energy: -0.207 local terms energy: -365.660016 where: bonds (distance) C4'-P energy: -103.556 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2496.751034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.751034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.751034 (E_RNA) where: Base-Base interactions energy: -1746.916 where: short stacking energy: -750.267 Base-Backbone interact. energy: -2.561 local terms energy: -747.273783 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -145.545 flat angles C4'-P-C4' energy: -158.037 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -207.913 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2422.151184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.151184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.151184 (E_RNA) where: Base-Base interactions energy: -1699.515 where: short stacking energy: -713.465 Base-Backbone interact. energy: -2.070 local terms energy: -720.565651 where: bonds (distance) C4'-P energy: -119.922 bonds (distance) P-C4' energy: -144.572 flat angles C4'-P-C4' energy: -149.647 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -191.125 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2226.031080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.031080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.031080 (E_RNA) where: Base-Base interactions energy: -1562.662 where: short stacking energy: -659.469 Base-Backbone interact. energy: 2.669 local terms energy: -666.038047 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -120.966 flat angles C4'-P-C4' energy: -160.684 flat angles P-C4'-P energy: -79.722 tors. eta vs tors. theta energy: -172.832 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: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2000.268846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.268846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.268846 (E_RNA) where: Base-Base interactions energy: -1384.453 where: short stacking energy: -593.688 Base-Backbone interact. energy: -1.123 local terms energy: -614.852231 where: bonds (distance) C4'-P energy: -101.150 bonds (distance) P-C4' energy: -134.516 flat angles C4'-P-C4' energy: -150.070 flat angles P-C4'-P energy: -90.245 tors. eta vs tors. theta energy: -138.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1934.927785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.927785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.927785 (E_RNA) where: Base-Base interactions energy: -1331.867 where: short stacking energy: -586.682 Base-Backbone interact. energy: -5.920 local terms energy: -597.140918 where: bonds (distance) C4'-P energy: -110.866 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -122.111 flat angles P-C4'-P energy: -93.871 tors. eta vs tors. theta energy: -142.814 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: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1945.567353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.567353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.567353 (E_RNA) where: Base-Base interactions energy: -1334.793 where: short stacking energy: -577.756 Base-Backbone interact. energy: 1.780 local terms energy: -612.554112 where: bonds (distance) C4'-P energy: -119.931 bonds (distance) P-C4' energy: -129.041 flat angles C4'-P-C4' energy: -132.008 flat angles P-C4'-P energy: -95.454 tors. eta vs tors. theta energy: -136.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1760.589859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.589859 (E_RNA) where: Base-Base interactions energy: -1213.661 where: short stacking energy: -521.335 Base-Backbone interact. energy: -3.110 local terms energy: -543.819208 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -114.880 flat angles C4'-P-C4' energy: -126.293 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -113.790 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: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1659.501271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.501271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.501271 (E_RNA) where: Base-Base interactions energy: -1131.528 where: short stacking energy: -491.789 Base-Backbone interact. energy: -0.349 local terms energy: -527.624173 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -129.346 flat angles C4'-P-C4' energy: -122.421 flat angles P-C4'-P energy: -77.638 tors. eta vs tors. theta energy: -105.891 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: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1154.618113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.618113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.618113 (E_RNA) where: Base-Base interactions energy: -711.817 where: short stacking energy: -318.853 Base-Backbone interact. energy: -0.423 local terms energy: -442.378322 where: bonds (distance) C4'-P energy: -111.131 bonds (distance) P-C4' energy: -114.606 flat angles C4'-P-C4' energy: -115.368 flat angles P-C4'-P energy: -66.993 tors. eta vs tors. theta energy: -34.280 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: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -897.815168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.815168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.815168 (E_RNA) where: Base-Base interactions energy: -485.194 where: short stacking energy: -248.743 Base-Backbone interact. energy: -2.370 local terms energy: -410.250235 where: bonds (distance) C4'-P energy: -103.660 bonds (distance) P-C4' energy: -111.465 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -63.253 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2489.363487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.363487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.363487 (E_RNA) where: Base-Base interactions energy: -1711.521 where: short stacking energy: -759.558 Base-Backbone interact. energy: -0.903 local terms energy: -776.939785 where: bonds (distance) C4'-P energy: -145.287 bonds (distance) P-C4' energy: -144.619 flat angles C4'-P-C4' energy: -170.135 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -212.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2425.772516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.772516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.772516 (E_RNA) where: Base-Base interactions energy: -1712.374 where: short stacking energy: -722.596 Base-Backbone interact. energy: -0.597 local terms energy: -712.802017 where: bonds (distance) C4'-P energy: -137.181 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -150.157 flat angles P-C4'-P energy: -115.310 tors. eta vs tors. theta energy: -189.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2220.875896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.875896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.875896 (E_RNA) where: Base-Base interactions energy: -1545.099 where: short stacking energy: -664.133 Base-Backbone interact. energy: -3.249 local terms energy: -672.528190 where: bonds (distance) C4'-P energy: -126.929 bonds (distance) P-C4' energy: -142.056 flat angles C4'-P-C4' energy: -136.577 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -171.524 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: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1998.763521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.763521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.763521 (E_RNA) where: Base-Base interactions energy: -1365.902 where: short stacking energy: -623.605 Base-Backbone interact. energy: 5.845 local terms energy: -638.707109 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -126.675 flat angles C4'-P-C4' energy: -146.911 flat angles P-C4'-P energy: -75.654 tors. eta vs tors. theta energy: -158.839 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: 130 Temperature: 1.100000 Total energy: -1898.971229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.971229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.971229 (E_RNA) where: Base-Base interactions energy: -1320.435 where: short stacking energy: -559.875 Base-Backbone interact. energy: -1.987 local terms energy: -576.549254 where: bonds (distance) C4'-P energy: -111.164 bonds (distance) P-C4' energy: -116.491 flat angles C4'-P-C4' energy: -125.039 flat angles P-C4'-P energy: -87.973 tors. eta vs tors. theta energy: -135.881 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1942.695864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.695864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.695864 (E_RNA) where: Base-Base interactions energy: -1368.208 where: short stacking energy: -578.876 Base-Backbone interact. energy: -4.266 local terms energy: -570.221738 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -115.198 flat angles C4'-P-C4' energy: -142.170 flat angles P-C4'-P energy: -73.087 tors. eta vs tors. theta energy: -127.936 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: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1746.088407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.088407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.088407 (E_RNA) where: Base-Base interactions energy: -1180.327 where: short stacking energy: -511.787 Base-Backbone interact. energy: -2.427 local terms energy: -563.334385 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -110.520 flat angles C4'-P-C4' energy: -125.709 flat angles P-C4'-P energy: -91.192 tors. eta vs tors. theta energy: -120.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1666.969915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.969915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.969915 (E_RNA) where: Base-Base interactions energy: -1123.101 where: short stacking energy: -491.988 Base-Backbone interact. energy: 2.681 local terms energy: -546.549728 where: bonds (distance) C4'-P energy: -110.347 bonds (distance) P-C4' energy: -113.909 flat angles C4'-P-C4' energy: -131.639 flat angles P-C4'-P energy: -75.925 tors. eta vs tors. theta energy: -114.729 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: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1142.742775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.742775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.742775 (E_RNA) where: Base-Base interactions energy: -741.174 where: short stacking energy: -335.606 Base-Backbone interact. energy: 8.385 local terms energy: -409.953173 where: bonds (distance) C4'-P energy: -97.025 bonds (distance) P-C4' energy: -97.703 flat angles C4'-P-C4' energy: -106.696 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -49.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -950.309109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.309109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.309109 (E_RNA) where: Base-Base interactions energy: -567.030 where: short stacking energy: -285.006 Base-Backbone interact. energy: 0.235 local terms energy: -383.513181 where: bonds (distance) C4'-P energy: -97.229 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -52.629 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: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2533.996885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.996885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.996885 (E_RNA) where: Base-Base interactions energy: -1764.060 where: short stacking energy: -791.327 Base-Backbone interact. energy: -3.450 local terms energy: -766.487208 where: bonds (distance) C4'-P energy: -133.974 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -163.060 flat angles P-C4'-P energy: -114.392 tors. eta vs tors. theta energy: -220.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2408.273358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.273358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.273358 (E_RNA) where: Base-Base interactions energy: -1699.456 where: short stacking energy: -718.118 Base-Backbone interact. energy: -0.422 local terms energy: -708.395465 where: bonds (distance) C4'-P energy: -127.379 bonds (distance) P-C4' energy: -130.405 flat angles C4'-P-C4' energy: -152.359 flat angles P-C4'-P energy: -106.652 tors. eta vs tors. theta energy: -191.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2220.946217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.946217 (E_RNA) where: Base-Base interactions energy: -1541.371 where: short stacking energy: -661.066 Base-Backbone interact. energy: -0.859 local terms energy: -678.715569 where: bonds (distance) C4'-P energy: -124.744 bonds (distance) P-C4' energy: -133.356 flat angles C4'-P-C4' energy: -140.883 flat angles P-C4'-P energy: -101.618 tors. eta vs tors. theta energy: -178.114 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: 131 Temperature: 1.050000 Total energy: -2050.463620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.463620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.463620 (E_RNA) where: Base-Base interactions energy: -1430.678 where: short stacking energy: -629.163 Base-Backbone interact. energy: -2.956 local terms energy: -616.829416 where: bonds (distance) C4'-P energy: -103.438 bonds (distance) P-C4' energy: -106.079 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -91.634 tors. eta vs tors. theta energy: -174.160 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: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1942.870452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.870452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.870452 (E_RNA) where: Base-Base interactions energy: -1362.887 where: short stacking energy: -572.018 Base-Backbone interact. energy: 0.532 local terms energy: -580.514714 where: bonds (distance) C4'-P energy: -111.076 bonds (distance) P-C4' energy: -122.697 flat angles C4'-P-C4' energy: -129.538 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -138.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1850.858864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.858864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.858864 (E_RNA) where: Base-Base interactions energy: -1280.587 where: short stacking energy: -544.747 Base-Backbone interact. energy: -1.022 local terms energy: -569.249603 where: bonds (distance) C4'-P energy: -102.921 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -146.213 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: -120.950 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1810.531810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.531810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.531810 (E_RNA) where: Base-Base interactions energy: -1279.375 where: short stacking energy: -553.392 Base-Backbone interact. energy: 1.200 local terms energy: -532.357211 where: bonds (distance) C4'-P energy: -97.878 bonds (distance) P-C4' energy: -112.714 flat angles C4'-P-C4' energy: -120.987 flat angles P-C4'-P energy: -88.821 tors. eta vs tors. theta energy: -111.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1630.279198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.279198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.279198 (E_RNA) where: Base-Base interactions energy: -1085.838 where: short stacking energy: -467.799 Base-Backbone interact. energy: -4.093 local terms energy: -540.347635 where: bonds (distance) C4'-P energy: -95.814 bonds (distance) P-C4' energy: -118.602 flat angles C4'-P-C4' energy: -125.117 flat angles P-C4'-P energy: -88.012 tors. eta vs tors. theta energy: -112.801 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: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1182.819640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.819640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.819640 (E_RNA) where: Base-Base interactions energy: -739.129 where: short stacking energy: -363.229 Base-Backbone interact. energy: 0.778 local terms energy: -444.468821 where: bonds (distance) C4'-P energy: -103.238 bonds (distance) P-C4' energy: -107.850 flat angles C4'-P-C4' energy: -105.702 flat angles P-C4'-P energy: -70.812 tors. eta vs tors. theta energy: -56.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -941.049378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.049378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.049378 (E_RNA) where: Base-Base interactions energy: -546.007 where: short stacking energy: -285.958 Base-Backbone interact. energy: 2.061 local terms energy: -397.103526 where: bonds (distance) C4'-P energy: -100.155 bonds (distance) P-C4' energy: -124.356 flat angles C4'-P-C4' energy: -101.346 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -21.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2499.476919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.476919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.476919 (E_RNA) where: Base-Base interactions energy: -1736.667 where: short stacking energy: -773.403 Base-Backbone interact. energy: -4.033 local terms energy: -758.776717 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -136.021 flat angles C4'-P-C4' energy: -160.640 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -212.185 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: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2421.211923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.211923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.211923 (E_RNA) where: Base-Base interactions energy: -1705.806 where: short stacking energy: -733.821 Base-Backbone interact. energy: -3.301 local terms energy: -712.642794 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -124.322 flat angles C4'-P-C4' energy: -154.005 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -207.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.538 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2190.604120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.604120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.604120 (E_RNA) where: Base-Base interactions energy: -1502.614 where: short stacking energy: -656.582 Base-Backbone interact. energy: -3.804 local terms energy: -684.186113 where: bonds (distance) C4'-P energy: -136.815 bonds (distance) P-C4' energy: -140.500 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -101.222 tors. eta vs tors. theta energy: -160.359 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: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2038.613416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.613416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.613416 (E_RNA) where: Base-Base interactions energy: -1381.962 where: short stacking energy: -622.369 Base-Backbone interact. energy: -1.142 local terms energy: -655.509466 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -124.003 flat angles C4'-P-C4' energy: -137.143 flat angles P-C4'-P energy: -93.143 tors. eta vs tors. theta energy: -174.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2013.224504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.224504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.224504 (E_RNA) where: Base-Base interactions energy: -1365.983 where: short stacking energy: -583.391 Base-Backbone interact. energy: -3.227 local terms energy: -644.014149 where: bonds (distance) C4'-P energy: -137.740 bonds (distance) P-C4' energy: -139.545 flat angles C4'-P-C4' energy: -130.003 flat angles P-C4'-P energy: -88.637 tors. eta vs tors. theta energy: -148.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1794.496185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.496185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.496185 (E_RNA) where: Base-Base interactions energy: -1228.401 where: short stacking energy: -501.417 Base-Backbone interact. energy: -4.470 local terms energy: -561.625995 where: bonds (distance) C4'-P energy: -89.724 bonds (distance) P-C4' energy: -143.284 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -107.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1731.758996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.758996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.758996 (E_RNA) where: Base-Base interactions energy: -1195.812 where: short stacking energy: -519.807 Base-Backbone interact. energy: 0.943 local terms energy: -536.889859 where: bonds (distance) C4'-P energy: -118.027 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -127.361 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -113.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1546.721569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.721569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.721569 (E_RNA) where: Base-Base interactions energy: -1035.312 where: short stacking energy: -453.325 Base-Backbone interact. energy: -2.118 local terms energy: -509.291377 where: bonds (distance) C4'-P energy: -116.091 bonds (distance) P-C4' energy: -123.797 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -94.674 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1217.355470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.355470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.355470 (E_RNA) where: Base-Base interactions energy: -769.614 where: short stacking energy: -365.313 Base-Backbone interact. energy: 2.366 local terms energy: -450.107201 where: bonds (distance) C4'-P energy: -114.262 bonds (distance) P-C4' energy: -113.327 flat angles C4'-P-C4' energy: -107.790 flat angles P-C4'-P energy: -60.723 tors. eta vs tors. theta energy: -54.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -943.818400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.818400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.818400 (E_RNA) where: Base-Base interactions energy: -573.177 where: short stacking energy: -315.574 Base-Backbone interact. energy: 1.332 local terms energy: -371.973658 where: bonds (distance) C4'-P energy: -102.203 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -99.395 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -26.616 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: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2491.667069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.667069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.667069 (E_RNA) where: Base-Base interactions energy: -1757.386 where: short stacking energy: -769.503 Base-Backbone interact. energy: -4.860 local terms energy: -729.421139 where: bonds (distance) C4'-P energy: -130.417 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -150.766 flat angles P-C4'-P energy: -108.821 tors. eta vs tors. theta energy: -209.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2433.306445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.306445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.306445 (E_RNA) where: Base-Base interactions energy: -1689.241 where: short stacking energy: -728.095 Base-Backbone interact. energy: -4.250 local terms energy: -739.815357 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -134.051 flat angles C4'-P-C4' energy: -156.608 flat angles P-C4'-P energy: -115.729 tors. eta vs tors. theta energy: -200.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2200.234732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.234732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.234732 (E_RNA) where: Base-Base interactions energy: -1533.356 where: short stacking energy: -625.050 Base-Backbone interact. energy: -3.258 local terms energy: -663.620416 where: bonds (distance) C4'-P energy: -135.705 bonds (distance) P-C4' energy: -132.154 flat angles C4'-P-C4' energy: -155.845 flat angles P-C4'-P energy: -86.130 tors. eta vs tors. theta energy: -153.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2084.822994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.822994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.822994 (E_RNA) where: Base-Base interactions energy: -1444.175 where: short stacking energy: -625.019 Base-Backbone interact. energy: 0.396 local terms energy: -641.043504 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -119.831 flat angles C4'-P-C4' energy: -141.696 flat angles P-C4'-P energy: -106.748 tors. eta vs tors. theta energy: -155.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1939.671406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.671406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.671406 (E_RNA) where: Base-Base interactions energy: -1326.744 where: short stacking energy: -591.380 Base-Backbone interact. energy: -1.361 local terms energy: -611.565882 where: bonds (distance) C4'-P energy: -106.551 bonds (distance) P-C4' energy: -128.052 flat angles C4'-P-C4' energy: -136.761 flat angles P-C4'-P energy: -94.046 tors. eta vs tors. theta energy: -146.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1819.317187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.317187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.317187 (E_RNA) where: Base-Base interactions energy: -1241.931 where: short stacking energy: -541.984 Base-Backbone interact. energy: 0.681 local terms energy: -578.067070 where: bonds (distance) C4'-P energy: -110.699 bonds (distance) P-C4' energy: -128.921 flat angles C4'-P-C4' energy: -131.299 flat angles P-C4'-P energy: -80.586 tors. eta vs tors. theta energy: -126.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1746.780914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.780914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.780914 (E_RNA) where: Base-Base interactions energy: -1182.454 where: short stacking energy: -507.573 Base-Backbone interact. energy: -4.297 local terms energy: -560.029946 where: bonds (distance) C4'-P energy: -119.579 bonds (distance) P-C4' energy: -110.392 flat angles C4'-P-C4' energy: -129.910 flat angles P-C4'-P energy: -83.557 tors. eta vs tors. theta energy: -116.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1490.524515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.524515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.524515 (E_RNA) where: Base-Base interactions energy: -999.648 where: short stacking energy: -457.497 Base-Backbone interact. energy: 0.877 local terms energy: -491.754089 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -104.944 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -74.792 tors. eta vs tors. theta energy: -100.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1257.074489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.074489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.074489 (E_RNA) where: Base-Base interactions energy: -812.710 where: short stacking energy: -366.835 Base-Backbone interact. energy: -2.545 local terms energy: -442.765486 where: bonds (distance) C4'-P energy: -112.200 bonds (distance) P-C4' energy: -100.700 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -47.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.946 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -999.446796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.446796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.446796 (E_RNA) where: Base-Base interactions energy: -598.048 where: short stacking energy: -303.277 Base-Backbone interact. energy: 2.870 local terms energy: -404.268922 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -120.574 flat angles C4'-P-C4' energy: -91.529 flat angles P-C4'-P energy: -75.966 tors. eta vs tors. theta energy: -22.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2483.121276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.121276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.121276 (E_RNA) where: Base-Base interactions energy: -1745.044 where: short stacking energy: -761.215 Base-Backbone interact. energy: 0.598 local terms energy: -738.674784 where: bonds (distance) C4'-P energy: -130.339 bonds (distance) P-C4' energy: -128.207 flat angles C4'-P-C4' energy: -162.679 flat angles P-C4'-P energy: -111.566 tors. eta vs tors. theta energy: -205.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2412.143512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.143512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.143512 (E_RNA) where: Base-Base interactions energy: -1686.455 where: short stacking energy: -706.437 Base-Backbone interact. energy: -1.829 local terms energy: -723.859675 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -133.326 flat angles C4'-P-C4' energy: -163.909 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -191.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2155.004420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.004420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.004420 (E_RNA) where: Base-Base interactions energy: -1523.976 where: short stacking energy: -636.967 Base-Backbone interact. energy: -1.832 local terms energy: -629.196406 where: bonds (distance) C4'-P energy: -128.849 bonds (distance) P-C4' energy: -122.142 flat angles C4'-P-C4' energy: -131.250 flat angles P-C4'-P energy: -94.208 tors. eta vs tors. theta energy: -152.748 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: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2090.052941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.052941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.052941 (E_RNA) where: Base-Base interactions energy: -1443.700 where: short stacking energy: -624.560 Base-Backbone interact. energy: -0.844 local terms energy: -645.508328 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -147.683 flat angles P-C4'-P energy: -87.964 tors. eta vs tors. theta energy: -161.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1971.823978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.823978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.823978 (E_RNA) where: Base-Base interactions energy: -1360.043 where: short stacking energy: -576.687 Base-Backbone interact. energy: -2.708 local terms energy: -609.073201 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -141.847 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -129.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1870.574726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.574726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.574726 (E_RNA) where: Base-Base interactions energy: -1235.871 where: short stacking energy: -566.133 Base-Backbone interact. energy: -2.568 local terms energy: -632.135259 where: bonds (distance) C4'-P energy: -124.400 bonds (distance) P-C4' energy: -124.006 flat angles C4'-P-C4' energy: -147.600 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -146.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1724.881514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.881514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.881514 (E_RNA) where: Base-Base interactions energy: -1122.161 where: short stacking energy: -473.424 Base-Backbone interact. energy: -6.478 local terms energy: -596.242858 where: bonds (distance) C4'-P energy: -122.747 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -91.927 tors. eta vs tors. theta energy: -107.873 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: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1464.204641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.204641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.204641 (E_RNA) where: Base-Base interactions energy: -936.123 where: short stacking energy: -432.470 Base-Backbone interact. energy: -0.958 local terms energy: -527.124223 where: bonds (distance) C4'-P energy: -122.838 bonds (distance) P-C4' energy: -120.592 flat angles C4'-P-C4' energy: -123.036 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -92.466 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1224.614518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.614518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.614518 (E_RNA) where: Base-Base interactions energy: -789.162 where: short stacking energy: -362.604 Base-Backbone interact. energy: -1.630 local terms energy: -433.823035 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -118.759 flat angles C4'-P-C4' energy: -96.782 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -38.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -938.989764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.989764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.989764 (E_RNA) where: Base-Base interactions energy: -545.586 where: short stacking energy: -301.010 Base-Backbone interact. energy: 2.572 local terms energy: -395.975884 where: bonds (distance) C4'-P energy: -91.988 bonds (distance) P-C4' energy: -101.055 flat angles C4'-P-C4' energy: -95.600 flat angles P-C4'-P energy: -71.168 tors. eta vs tors. theta energy: -36.166 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: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2492.331235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.331235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.331235 (E_RNA) where: Base-Base interactions energy: -1756.263 where: short stacking energy: -767.527 Base-Backbone interact. energy: -0.239 local terms energy: -735.829518 where: bonds (distance) C4'-P energy: -128.831 bonds (distance) P-C4' energy: -138.727 flat angles C4'-P-C4' energy: -150.184 flat angles P-C4'-P energy: -95.549 tors. eta vs tors. theta energy: -222.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2370.315896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.315896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.315896 (E_RNA) where: Base-Base interactions energy: -1663.239 where: short stacking energy: -711.472 Base-Backbone interact. energy: -4.850 local terms energy: -702.227055 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -155.103 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -194.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2173.310258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.310258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.310258 (E_RNA) where: Base-Base interactions energy: -1519.304 where: short stacking energy: -644.195 Base-Backbone interact. energy: -3.715 local terms energy: -650.291292 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -140.679 flat angles C4'-P-C4' energy: -136.763 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -163.623 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2059.403964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.403964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.403964 (E_RNA) where: Base-Base interactions energy: -1419.536 where: short stacking energy: -625.444 Base-Backbone interact. energy: -1.179 local terms energy: -638.688917 where: bonds (distance) C4'-P energy: -116.886 bonds (distance) P-C4' energy: -129.862 flat angles C4'-P-C4' energy: -146.387 flat angles P-C4'-P energy: -94.718 tors. eta vs tors. theta energy: -150.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1941.966684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.966684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.966684 (E_RNA) where: Base-Base interactions energy: -1331.300 where: short stacking energy: -573.923 Base-Backbone interact. energy: -0.766 local terms energy: -609.900440 where: bonds (distance) C4'-P energy: -118.604 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -139.153 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -130.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1858.580887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.580887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.580887 (E_RNA) where: Base-Base interactions energy: -1259.574 where: short stacking energy: -550.934 Base-Backbone interact. energy: -2.181 local terms energy: -596.826586 where: bonds (distance) C4'-P energy: -123.155 bonds (distance) P-C4' energy: -127.629 flat angles C4'-P-C4' energy: -131.776 flat angles P-C4'-P energy: -77.821 tors. eta vs tors. theta energy: -136.445 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: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1773.668503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.668503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.668503 (E_RNA) where: Base-Base interactions energy: -1219.106 where: short stacking energy: -520.008 Base-Backbone interact. energy: 2.371 local terms energy: -556.933740 where: bonds (distance) C4'-P energy: -116.257 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -142.969 flat angles P-C4'-P energy: -81.415 tors. eta vs tors. theta energy: -93.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1485.167144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.167144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.167144 (E_RNA) where: Base-Base interactions energy: -1034.700 where: short stacking energy: -455.390 Base-Backbone interact. energy: 0.618 local terms energy: -451.084489 where: bonds (distance) C4'-P energy: -89.169 bonds (distance) P-C4' energy: -110.369 flat angles C4'-P-C4' energy: -111.121 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -89.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1144.798240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.798240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.798240 (E_RNA) where: Base-Base interactions energy: -712.465 where: short stacking energy: -348.081 Base-Backbone interact. energy: 2.382 local terms energy: -434.715975 where: bonds (distance) C4'-P energy: -102.662 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -45.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -933.451183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.451183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.451183 (E_RNA) where: Base-Base interactions energy: -513.185 where: short stacking energy: -258.809 Base-Backbone interact. energy: 9.989 local terms energy: -430.254321 where: bonds (distance) C4'-P energy: -113.597 bonds (distance) P-C4' energy: -112.192 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -87.997 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: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2498.245489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.245489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.245489 (E_RNA) where: Base-Base interactions energy: -1743.877 where: short stacking energy: -786.177 Base-Backbone interact. energy: -2.217 local terms energy: -752.151413 where: bonds (distance) C4'-P energy: -126.937 bonds (distance) P-C4' energy: -147.265 flat angles C4'-P-C4' energy: -154.371 flat angles P-C4'-P energy: -106.284 tors. eta vs tors. theta energy: -217.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2369.578859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.578859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.578859 (E_RNA) where: Base-Base interactions energy: -1666.464 where: short stacking energy: -702.540 Base-Backbone interact. energy: -0.691 local terms energy: -702.424089 where: bonds (distance) C4'-P energy: -134.911 bonds (distance) P-C4' energy: -137.723 flat angles C4'-P-C4' energy: -151.031 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -186.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2160.861297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.861297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.861297 (E_RNA) where: Base-Base interactions energy: -1522.169 where: short stacking energy: -662.001 Base-Backbone interact. energy: -2.844 local terms energy: -635.847995 where: bonds (distance) C4'-P energy: -123.034 bonds (distance) P-C4' energy: -129.319 flat angles C4'-P-C4' energy: -148.516 flat angles P-C4'-P energy: -76.021 tors. eta vs tors. theta energy: -158.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1969.663961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.663961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.663961 (E_RNA) where: Base-Base interactions energy: -1365.576 where: short stacking energy: -561.066 Base-Backbone interact. energy: -3.023 local terms energy: -601.065432 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -129.591 flat angles C4'-P-C4' energy: -137.061 flat angles P-C4'-P energy: -96.903 tors. eta vs tors. theta energy: -121.196 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: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1869.172012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.172012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.172012 (E_RNA) where: Base-Base interactions energy: -1234.889 where: short stacking energy: -570.033 Base-Backbone interact. energy: -2.172 local terms energy: -632.110930 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -133.808 flat angles C4'-P-C4' energy: -137.510 flat angles P-C4'-P energy: -82.719 tors. eta vs tors. theta energy: -131.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1883.589941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.589941 (E_RNA) where: Base-Base interactions energy: -1298.332 where: short stacking energy: -557.867 Base-Backbone interact. energy: 2.281 local terms energy: -587.538845 where: bonds (distance) C4'-P energy: -106.387 bonds (distance) P-C4' energy: -121.831 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -127.180 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: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1748.265333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.265333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.265333 (E_RNA) where: Base-Base interactions energy: -1177.149 where: short stacking energy: -496.360 Base-Backbone interact. energy: -3.028 local terms energy: -568.088032 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -117.394 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -85.514 tors. eta vs tors. theta energy: -122.949 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: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1493.342877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.342877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.342877 (E_RNA) where: Base-Base interactions energy: -984.589 where: short stacking energy: -441.258 Base-Backbone interact. energy: 2.659 local terms energy: -511.412480 where: bonds (distance) C4'-P energy: -106.755 bonds (distance) P-C4' energy: -113.317 flat angles C4'-P-C4' energy: -123.554 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -85.888 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: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1296.507437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.507437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.507437 (E_RNA) where: Base-Base interactions energy: -882.911 where: short stacking energy: -390.175 Base-Backbone interact. energy: 4.912 local terms energy: -418.508545 where: bonds (distance) C4'-P energy: -92.986 bonds (distance) P-C4' energy: -91.078 flat angles C4'-P-C4' energy: -123.470 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -53.258 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: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -879.991257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.991257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.991257 (E_RNA) where: Base-Base interactions energy: -488.815 where: short stacking energy: -246.122 Base-Backbone interact. energy: 0.940 local terms energy: -392.116205 where: bonds (distance) C4'-P energy: -92.168 bonds (distance) P-C4' energy: -132.633 flat angles C4'-P-C4' energy: -99.820 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2500.200439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.200439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.200439 (E_RNA) where: Base-Base interactions energy: -1752.057 where: short stacking energy: -765.305 Base-Backbone interact. energy: -3.060 local terms energy: -745.084127 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -212.299 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: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2357.503375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.503375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.503375 (E_RNA) where: Base-Base interactions energy: -1666.659 where: short stacking energy: -669.826 Base-Backbone interact. energy: -0.442 local terms energy: -690.402528 where: bonds (distance) C4'-P energy: -140.166 bonds (distance) P-C4' energy: -134.111 flat angles C4'-P-C4' energy: -139.725 flat angles P-C4'-P energy: -94.842 tors. eta vs tors. theta energy: -181.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2150.449722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.449722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.449722 (E_RNA) where: Base-Base interactions energy: -1500.066 where: short stacking energy: -635.371 Base-Backbone interact. energy: 3.997 local terms energy: -654.380427 where: bonds (distance) C4'-P energy: -129.101 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -96.428 tors. eta vs tors. theta energy: -162.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2007.797999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.797999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.797999 (E_RNA) where: Base-Base interactions energy: -1371.143 where: short stacking energy: -613.016 Base-Backbone interact. energy: -4.071 local terms energy: -632.583612 where: bonds (distance) C4'-P energy: -110.862 bonds (distance) P-C4' energy: -127.203 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -109.668 tors. eta vs tors. theta energy: -146.001 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: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1880.676895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.676895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.676895 (E_RNA) where: Base-Base interactions energy: -1264.866 where: short stacking energy: -597.637 Base-Backbone interact. energy: -2.041 local terms energy: -613.769961 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -130.537 flat angles C4'-P-C4' energy: -133.129 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -158.448 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: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1873.509378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.509378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.509378 (E_RNA) where: Base-Base interactions energy: -1277.545 where: short stacking energy: -569.180 Base-Backbone interact. energy: 0.319 local terms energy: -596.283453 where: bonds (distance) C4'-P energy: -119.430 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -82.123 tors. eta vs tors. theta energy: -139.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1721.856323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.856323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.856323 (E_RNA) where: Base-Base interactions energy: -1178.348 where: short stacking energy: -530.914 Base-Backbone interact. energy: -3.784 local terms energy: -539.724497 where: bonds (distance) C4'-P energy: -103.025 bonds (distance) P-C4' energy: -103.003 flat angles C4'-P-C4' energy: -131.061 flat angles P-C4'-P energy: -86.493 tors. eta vs tors. theta energy: -116.142 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1502.589333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.589333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.589333 (E_RNA) where: Base-Base interactions energy: -1003.327 where: short stacking energy: -464.748 Base-Backbone interact. energy: 0.648 local terms energy: -499.910974 where: bonds (distance) C4'-P energy: -108.714 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -114.496 flat angles P-C4'-P energy: -74.087 tors. eta vs tors. theta energy: -87.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1313.162519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.162519 (E_RNA) where: Base-Base interactions energy: -818.855 where: short stacking energy: -370.503 Base-Backbone interact. energy: -6.203 local terms energy: -488.104574 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -129.228 flat angles C4'-P-C4' energy: -120.143 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -57.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -891.804961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.804961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.804961 (E_RNA) where: Base-Base interactions energy: -499.863 where: short stacking energy: -290.103 Base-Backbone interact. energy: 0.846 local terms energy: -392.787777 where: bonds (distance) C4'-P energy: -81.221 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -111.152 flat angles P-C4'-P energy: -60.428 tors. eta vs tors. theta energy: -35.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2504.172945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.172945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.172945 (E_RNA) where: Base-Base interactions energy: -1747.025 where: short stacking energy: -775.240 Base-Backbone interact. energy: -2.713 local terms energy: -754.435120 where: bonds (distance) C4'-P energy: -139.388 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -157.264 flat angles P-C4'-P energy: -96.147 tors. eta vs tors. theta energy: -220.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2371.148918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.148918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.148918 (E_RNA) where: Base-Base interactions energy: -1659.830 where: short stacking energy: -661.020 Base-Backbone interact. energy: -1.159 local terms energy: -710.159787 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -153.764 flat angles C4'-P-C4' energy: -153.404 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -182.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2160.479462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.479462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.479462 (E_RNA) where: Base-Base interactions energy: -1490.251 where: short stacking energy: -670.756 Base-Backbone interact. energy: -3.573 local terms energy: -666.655697 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -148.375 flat angles P-C4'-P energy: -89.868 tors. eta vs tors. theta energy: -160.760 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: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2021.009312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.009312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.009312 (E_RNA) where: Base-Base interactions energy: -1410.183 where: short stacking energy: -601.485 Base-Backbone interact. energy: -0.524 local terms energy: -610.302228 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -122.735 flat angles C4'-P-C4' energy: -141.316 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -150.489 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: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1903.852812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.852812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.852812 (E_RNA) where: Base-Base interactions energy: -1274.984 where: short stacking energy: -572.022 Base-Backbone interact. energy: -4.100 local terms energy: -624.768522 where: bonds (distance) C4'-P energy: -119.037 bonds (distance) P-C4' energy: -124.307 flat angles C4'-P-C4' energy: -134.306 flat angles P-C4'-P energy: -95.372 tors. eta vs tors. theta energy: -151.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1888.578576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.578576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.578576 (E_RNA) where: Base-Base interactions energy: -1272.347 where: short stacking energy: -540.895 Base-Backbone interact. energy: -3.690 local terms energy: -612.542070 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -117.705 flat angles C4'-P-C4' energy: -148.582 flat angles P-C4'-P energy: -98.650 tors. eta vs tors. theta energy: -131.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1698.943152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.943152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.943152 (E_RNA) where: Base-Base interactions energy: -1158.698 where: short stacking energy: -479.970 Base-Backbone interact. energy: -2.476 local terms energy: -537.769745 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -120.245 flat angles C4'-P-C4' energy: -129.177 flat angles P-C4'-P energy: -72.912 tors. eta vs tors. theta energy: -114.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1523.088433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.088433 (E_RNA) where: Base-Base interactions energy: -1004.335 where: short stacking energy: -432.118 Base-Backbone interact. energy: -1.197 local terms energy: -517.556394 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -120.974 flat angles P-C4'-P energy: -87.054 tors. eta vs tors. theta energy: -79.661 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: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1276.537209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.537209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.537209 (E_RNA) where: Base-Base interactions energy: -828.702 where: short stacking energy: -356.842 Base-Backbone interact. energy: -3.178 local terms energy: -444.656862 where: bonds (distance) C4'-P energy: -106.838 bonds (distance) P-C4' energy: -120.076 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: -32.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -910.922338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.922338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.922338 (E_RNA) where: Base-Base interactions energy: -486.419 where: short stacking energy: -254.960 Base-Backbone interact. energy: 0.238 local terms energy: -424.741110 where: bonds (distance) C4'-P energy: -125.397 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -91.071 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -32.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2500.126332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.126332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.126332 (E_RNA) where: Base-Base interactions energy: -1730.715 where: short stacking energy: -776.922 Base-Backbone interact. energy: -1.253 local terms energy: -768.158348 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -162.807 flat angles P-C4'-P energy: -101.254 tors. eta vs tors. theta energy: -221.172 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: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2373.266122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.266122 (E_RNA) where: Base-Base interactions energy: -1664.105 where: short stacking energy: -693.866 Base-Backbone interact. energy: -2.175 local terms energy: -706.985992 where: bonds (distance) C4'-P energy: -126.769 bonds (distance) P-C4' energy: -132.217 flat angles C4'-P-C4' energy: -157.970 flat angles P-C4'-P energy: -96.067 tors. eta vs tors. theta energy: -193.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2175.991905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.991905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.991905 (E_RNA) where: Base-Base interactions energy: -1536.818 where: short stacking energy: -668.559 Base-Backbone interact. energy: 1.576 local terms energy: -640.750013 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -141.402 flat angles C4'-P-C4' energy: -142.097 flat angles P-C4'-P energy: -83.145 tors. eta vs tors. theta energy: -155.117 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: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2060.366296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.366296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.366296 (E_RNA) where: Base-Base interactions energy: -1422.194 where: short stacking energy: -612.064 Base-Backbone interact. energy: -3.997 local terms energy: -634.175235 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -105.836 flat angles C4'-P-C4' energy: -152.079 flat angles P-C4'-P energy: -89.185 tors. eta vs tors. theta energy: -148.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1947.960891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.960891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.960891 (E_RNA) where: Base-Base interactions energy: -1352.587 where: short stacking energy: -602.908 Base-Backbone interact. energy: -0.377 local terms energy: -594.997071 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -108.105 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -84.108 tors. eta vs tors. theta energy: -138.706 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1860.156090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.156090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.156090 (E_RNA) where: Base-Base interactions energy: -1287.944 where: short stacking energy: -550.771 Base-Backbone interact. energy: 0.451 local terms energy: -572.662848 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -121.317 flat angles C4'-P-C4' energy: -147.040 flat angles P-C4'-P energy: -74.198 tors. eta vs tors. theta energy: -123.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1672.361816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.361816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.361816 (E_RNA) where: Base-Base interactions energy: -1147.328 where: short stacking energy: -483.186 Base-Backbone interact. energy: -2.822 local terms energy: -522.211267 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -101.623 flat angles C4'-P-C4' energy: -119.116 flat angles P-C4'-P energy: -91.765 tors. eta vs tors. theta energy: -109.772 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: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1565.116041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.116041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.116041 (E_RNA) where: Base-Base interactions energy: -1041.767 where: short stacking energy: -475.524 Base-Backbone interact. energy: 0.400 local terms energy: -523.748522 where: bonds (distance) C4'-P energy: -106.634 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -129.802 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -98.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1244.751428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.751428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.751428 (E_RNA) where: Base-Base interactions energy: -806.135 where: short stacking energy: -362.814 Base-Backbone interact. energy: 0.876 local terms energy: -439.492541 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -119.765 flat angles C4'-P-C4' energy: -105.250 flat angles P-C4'-P energy: -68.928 tors. eta vs tors. theta energy: -41.445 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: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -928.174432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.174432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.174432 (E_RNA) where: Base-Base interactions energy: -513.820 where: short stacking energy: -262.661 Base-Backbone interact. energy: -3.383 local terms energy: -410.971453 where: bonds (distance) C4'-P energy: -120.585 bonds (distance) P-C4' energy: -112.854 flat angles C4'-P-C4' energy: -106.089 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2506.540277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.540277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.540277 (E_RNA) where: Base-Base interactions energy: -1752.984 where: short stacking energy: -756.131 Base-Backbone interact. energy: -2.511 local terms energy: -751.045135 where: bonds (distance) C4'-P energy: -137.378 bonds (distance) P-C4' energy: -151.951 flat angles C4'-P-C4' energy: -151.282 flat angles P-C4'-P energy: -102.006 tors. eta vs tors. theta energy: -208.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2362.978497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.978497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.978497 (E_RNA) where: Base-Base interactions energy: -1651.571 where: short stacking energy: -682.263 Base-Backbone interact. energy: 3.578 local terms energy: -714.985972 where: bonds (distance) C4'-P energy: -134.175 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -149.112 flat angles P-C4'-P energy: -101.074 tors. eta vs tors. theta energy: -186.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2182.910591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.910591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.910591 (E_RNA) where: Base-Base interactions energy: -1532.334 where: short stacking energy: -661.794 Base-Backbone interact. energy: -5.341 local terms energy: -645.235485 where: bonds (distance) C4'-P energy: -132.931 bonds (distance) P-C4' energy: -118.370 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -82.047 tors. eta vs tors. theta energy: -169.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1992.510859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.510859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.510859 (E_RNA) where: Base-Base interactions energy: -1326.314 where: short stacking energy: -575.220 Base-Backbone interact. energy: -5.542 local terms energy: -660.654169 where: bonds (distance) C4'-P energy: -132.546 bonds (distance) P-C4' energy: -136.001 flat angles C4'-P-C4' energy: -147.669 flat angles P-C4'-P energy: -100.550 tors. eta vs tors. theta energy: -143.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1990.556238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.556238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.556238 (E_RNA) where: Base-Base interactions energy: -1384.417 where: short stacking energy: -586.945 Base-Backbone interact. energy: 0.672 local terms energy: -606.811739 where: bonds (distance) C4'-P energy: -100.151 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -88.508 tors. eta vs tors. theta energy: -141.151 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: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1891.369957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.369957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.369957 (E_RNA) where: Base-Base interactions energy: -1277.289 where: short stacking energy: -578.051 Base-Backbone interact. energy: 0.610 local terms energy: -614.690935 where: bonds (distance) C4'-P energy: -116.802 bonds (distance) P-C4' energy: -117.995 flat angles C4'-P-C4' energy: -139.276 flat angles P-C4'-P energy: -88.291 tors. eta vs tors. theta energy: -152.326 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: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1695.508474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.508474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.508474 (E_RNA) where: Base-Base interactions energy: -1134.962 where: short stacking energy: -488.368 Base-Backbone interact. energy: 0.834 local terms energy: -561.380129 where: bonds (distance) C4'-P energy: -123.068 bonds (distance) P-C4' energy: -119.172 flat angles C4'-P-C4' energy: -132.284 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -102.566 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: 140 Temperature: 1.250000 Total energy: -1561.551627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.551627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.551627 (E_RNA) where: Base-Base interactions energy: -1021.059 where: short stacking energy: -477.006 Base-Backbone interact. energy: -0.538 local terms energy: -539.954695 where: bonds (distance) C4'-P energy: -117.118 bonds (distance) P-C4' energy: -115.135 flat angles C4'-P-C4' energy: -118.467 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -89.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1259.729373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.729373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.729373 (E_RNA) where: Base-Base interactions energy: -789.586 where: short stacking energy: -343.886 Base-Backbone interact. energy: 4.008 local terms energy: -474.151973 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -124.590 flat angles C4'-P-C4' energy: -126.536 flat angles P-C4'-P energy: -68.022 tors. eta vs tors. theta energy: -36.496 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: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -925.509659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.509659 (E_RNA) where: Base-Base interactions energy: -536.576 where: short stacking energy: -274.048 Base-Backbone interact. energy: 1.592 local terms energy: -390.524906 where: bonds (distance) C4'-P energy: -104.188 bonds (distance) P-C4' energy: -115.685 flat angles C4'-P-C4' energy: -101.575 flat angles P-C4'-P energy: -59.016 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: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2500.732703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.732703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.732703 (E_RNA) where: Base-Base interactions energy: -1715.666 where: short stacking energy: -766.988 Base-Backbone interact. energy: -5.512 local terms energy: -779.555242 where: bonds (distance) C4'-P energy: -151.201 bonds (distance) P-C4' energy: -143.050 flat angles C4'-P-C4' energy: -159.682 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -220.819 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: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2380.175907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.175907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.175907 (E_RNA) where: Base-Base interactions energy: -1681.143 where: short stacking energy: -712.200 Base-Backbone interact. energy: -4.075 local terms energy: -694.957679 where: bonds (distance) C4'-P energy: -123.581 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -200.289 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: 141 Temperature: 1.000000 Total energy: -2176.817702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.817702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.817702 (E_RNA) where: Base-Base interactions energy: -1530.591 where: short stacking energy: -638.489 Base-Backbone interact. energy: -1.592 local terms energy: -644.634767 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -127.702 flat angles C4'-P-C4' energy: -145.423 flat angles P-C4'-P energy: -79.589 tors. eta vs tors. theta energy: -170.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2066.968798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.968798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.968798 (E_RNA) where: Base-Base interactions energy: -1447.032 where: short stacking energy: -612.729 Base-Backbone interact. energy: -1.988 local terms energy: -617.948200 where: bonds (distance) C4'-P energy: -128.310 bonds (distance) P-C4' energy: -114.159 flat angles C4'-P-C4' energy: -138.682 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -147.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1952.537087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.537087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.537087 (E_RNA) where: Base-Base interactions energy: -1320.355 where: short stacking energy: -606.906 Base-Backbone interact. energy: -1.232 local terms energy: -630.949849 where: bonds (distance) C4'-P energy: -138.877 bonds (distance) P-C4' energy: -114.288 flat angles C4'-P-C4' energy: -140.374 flat angles P-C4'-P energy: -80.912 tors. eta vs tors. theta energy: -156.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1945.195194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.195194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.195194 (E_RNA) where: Base-Base interactions energy: -1337.468 where: short stacking energy: -593.276 Base-Backbone interact. energy: 0.148 local terms energy: -607.874712 where: bonds (distance) C4'-P energy: -112.061 bonds (distance) P-C4' energy: -119.880 flat angles C4'-P-C4' energy: -134.706 flat angles P-C4'-P energy: -91.374 tors. eta vs tors. theta energy: -149.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1672.503006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.503006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.503006 (E_RNA) where: Base-Base interactions energy: -1135.595 where: short stacking energy: -497.493 Base-Backbone interact. energy: -1.814 local terms energy: -535.094363 where: bonds (distance) C4'-P energy: -125.775 bonds (distance) P-C4' energy: -94.128 flat angles C4'-P-C4' energy: -118.218 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -111.562 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: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1581.217495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.217495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.217495 (E_RNA) where: Base-Base interactions energy: -1052.152 where: short stacking energy: -446.628 Base-Backbone interact. energy: -3.705 local terms energy: -525.359905 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -119.041 flat angles C4'-P-C4' energy: -103.909 flat angles P-C4'-P energy: -86.333 tors. eta vs tors. theta energy: -93.946 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: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1284.726527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.726527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.726527 (E_RNA) where: Base-Base interactions energy: -801.599 where: short stacking energy: -398.111 Base-Backbone interact. energy: -3.200 local terms energy: -479.926883 where: bonds (distance) C4'-P energy: -98.217 bonds (distance) P-C4' energy: -124.784 flat angles C4'-P-C4' energy: -117.785 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -80.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -948.285021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.285021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.285021 (E_RNA) where: Base-Base interactions energy: -545.951 where: short stacking energy: -270.990 Base-Backbone interact. energy: -4.727 local terms energy: -397.606681 where: bonds (distance) C4'-P energy: -108.235 bonds (distance) P-C4' energy: -106.806 flat angles C4'-P-C4' energy: -103.829 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -22.250 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: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2474.794401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.794401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.794401 (E_RNA) where: Base-Base interactions energy: -1731.036 where: short stacking energy: -761.961 Base-Backbone interact. energy: 3.441 local terms energy: -747.199256 where: bonds (distance) C4'-P energy: -135.895 bonds (distance) P-C4' energy: -144.491 flat angles C4'-P-C4' energy: -150.191 flat angles P-C4'-P energy: -106.556 tors. eta vs tors. theta energy: -210.066 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: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2382.964486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.964486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.964486 (E_RNA) where: Base-Base interactions energy: -1673.283 where: short stacking energy: -715.125 Base-Backbone interact. energy: -2.222 local terms energy: -707.459697 where: bonds (distance) C4'-P energy: -121.134 bonds (distance) P-C4' energy: -135.459 flat angles C4'-P-C4' energy: -164.034 flat angles P-C4'-P energy: -96.446 tors. eta vs tors. theta energy: -190.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2145.143683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.143683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.143683 (E_RNA) where: Base-Base interactions energy: -1479.222 where: short stacking energy: -619.853 Base-Backbone interact. energy: -4.013 local terms energy: -661.908990 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -143.215 flat angles P-C4'-P energy: -94.901 tors. eta vs tors. theta energy: -158.926 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: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2077.258091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.258091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.258091 (E_RNA) where: Base-Base interactions energy: -1409.626 where: short stacking energy: -636.159 Base-Backbone interact. energy: -1.018 local terms energy: -666.614335 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -140.621 flat angles P-C4'-P energy: -99.576 tors. eta vs tors. theta energy: -175.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1983.331962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.331962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.331962 (E_RNA) where: Base-Base interactions energy: -1381.764 where: short stacking energy: -626.319 Base-Backbone interact. energy: -3.951 local terms energy: -597.616480 where: bonds (distance) C4'-P energy: -107.170 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -131.605 flat angles P-C4'-P energy: -87.790 tors. eta vs tors. theta energy: -148.211 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: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1938.282050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.282050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.282050 (E_RNA) where: Base-Base interactions energy: -1333.087 where: short stacking energy: -588.302 Base-Backbone interact. energy: 0.480 local terms energy: -605.674765 where: bonds (distance) C4'-P energy: -128.503 bonds (distance) P-C4' energy: -108.139 flat angles C4'-P-C4' energy: -132.077 flat angles P-C4'-P energy: -84.788 tors. eta vs tors. theta energy: -152.169 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: 142 Temperature: 1.200000 Total energy: -1748.504172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.504172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.504172 (E_RNA) where: Base-Base interactions energy: -1201.435 where: short stacking energy: -495.268 Base-Backbone interact. energy: 1.362 local terms energy: -548.430606 where: bonds (distance) C4'-P energy: -101.680 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -83.126 tors. eta vs tors. theta energy: -110.747 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: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1534.053424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.053424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.053424 (E_RNA) where: Base-Base interactions energy: -1023.180 where: short stacking energy: -454.862 Base-Backbone interact. energy: -3.182 local terms energy: -507.691433 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -80.990 tors. eta vs tors. theta energy: -86.505 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: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1203.360268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.360268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.360268 (E_RNA) where: Base-Base interactions energy: -741.644 where: short stacking energy: -335.014 Base-Backbone interact. energy: -2.309 local terms energy: -459.407629 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -130.119 flat angles C4'-P-C4' energy: -122.385 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -37.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -966.230108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.230108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.230108 (E_RNA) where: Base-Base interactions energy: -525.201 where: short stacking energy: -277.652 Base-Backbone interact. energy: 0.053 local terms energy: -441.081949 where: bonds (distance) C4'-P energy: -120.116 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -112.189 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -27.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2504.152964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.152964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.152964 (E_RNA) where: Base-Base interactions energy: -1749.487 where: short stacking energy: -781.830 Base-Backbone interact. energy: 1.137 local terms energy: -755.802818 where: bonds (distance) C4'-P energy: -131.910 bonds (distance) P-C4' energy: -146.864 flat angles C4'-P-C4' energy: -153.179 flat angles P-C4'-P energy: -110.507 tors. eta vs tors. theta energy: -213.343 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: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2374.211521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.211521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.211521 (E_RNA) where: Base-Base interactions energy: -1641.993 where: short stacking energy: -684.414 Base-Backbone interact. energy: -1.751 local terms energy: -730.467580 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -145.986 flat angles C4'-P-C4' energy: -146.579 flat angles P-C4'-P energy: -109.753 tors. eta vs tors. theta energy: -194.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2139.847907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.847907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.847907 (E_RNA) where: Base-Base interactions energy: -1491.868 where: short stacking energy: -633.243 Base-Backbone interact. energy: -2.264 local terms energy: -645.715983 where: bonds (distance) C4'-P energy: -121.589 bonds (distance) P-C4' energy: -133.718 flat angles C4'-P-C4' energy: -138.883 flat angles P-C4'-P energy: -95.311 tors. eta vs tors. theta energy: -156.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2096.343528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.343528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.343528 (E_RNA) where: Base-Base interactions energy: -1428.386 where: short stacking energy: -598.654 Base-Backbone interact. energy: -0.132 local terms energy: -667.824960 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -146.086 flat angles P-C4'-P energy: -111.126 tors. eta vs tors. theta energy: -154.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1989.311251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.311251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.311251 (E_RNA) where: Base-Base interactions energy: -1357.578 where: short stacking energy: -603.447 Base-Backbone interact. energy: -1.749 local terms energy: -629.984236 where: bonds (distance) C4'-P energy: -111.417 bonds (distance) P-C4' energy: -124.910 flat angles C4'-P-C4' energy: -139.592 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -152.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1912.485086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.485086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.485086 (E_RNA) where: Base-Base interactions energy: -1288.866 where: short stacking energy: -587.510 Base-Backbone interact. energy: -1.213 local terms energy: -622.405569 where: bonds (distance) C4'-P energy: -122.120 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -122.335 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -160.405 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: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1649.665530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.665530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.665530 (E_RNA) where: Base-Base interactions energy: -1113.976 where: short stacking energy: -488.921 Base-Backbone interact. energy: 4.483 local terms energy: -540.172270 where: bonds (distance) C4'-P energy: -115.383 bonds (distance) P-C4' energy: -117.913 flat angles C4'-P-C4' energy: -114.597 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -113.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1549.218721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.218721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.218721 (E_RNA) where: Base-Base interactions energy: -1057.492 where: short stacking energy: -470.862 Base-Backbone interact. energy: -0.730 local terms energy: -490.996733 where: bonds (distance) C4'-P energy: -98.489 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -117.045 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: -89.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1207.596974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.596974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.596974 (E_RNA) where: Base-Base interactions energy: -771.762 where: short stacking energy: -374.994 Base-Backbone interact. energy: 3.101 local terms energy: -439.446396 where: bonds (distance) C4'-P energy: -97.803 bonds (distance) P-C4' energy: -124.508 flat angles C4'-P-C4' energy: -87.401 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -65.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1024.009099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.009099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.009099 (E_RNA) where: Base-Base interactions energy: -633.549 where: short stacking energy: -345.719 Base-Backbone interact. energy: -2.161 local terms energy: -388.299961 where: bonds (distance) C4'-P energy: -103.616 bonds (distance) P-C4' energy: -102.362 flat angles C4'-P-C4' energy: -85.252 flat angles P-C4'-P energy: -57.611 tors. eta vs tors. theta energy: -39.459 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: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2499.811975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.811975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.811975 (E_RNA) where: Base-Base interactions energy: -1733.048 where: short stacking energy: -794.701 Base-Backbone interact. energy: -2.353 local terms energy: -764.411686 where: bonds (distance) C4'-P energy: -114.671 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -158.294 flat angles P-C4'-P energy: -118.447 tors. eta vs tors. theta energy: -224.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2381.692226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.692226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.692226 (E_RNA) where: Base-Base interactions energy: -1698.210 where: short stacking energy: -689.619 Base-Backbone interact. energy: -0.621 local terms energy: -682.860739 where: bonds (distance) C4'-P energy: -127.408 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -95.150 tors. eta vs tors. theta energy: -180.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2119.816104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.816104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.816104 (E_RNA) where: Base-Base interactions energy: -1454.195 where: short stacking energy: -627.948 Base-Backbone interact. energy: -1.309 local terms energy: -664.311565 where: bonds (distance) C4'-P energy: -120.674 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -145.586 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -169.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2096.588017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.588017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.588017 (E_RNA) where: Base-Base interactions energy: -1446.152 where: short stacking energy: -627.751 Base-Backbone interact. energy: -2.700 local terms energy: -647.735589 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -120.124 flat angles C4'-P-C4' energy: -139.536 flat angles P-C4'-P energy: -95.416 tors. eta vs tors. theta energy: -170.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1991.730846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.730846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.730846 (E_RNA) where: Base-Base interactions energy: -1374.930 where: short stacking energy: -607.922 Base-Backbone interact. energy: -2.105 local terms energy: -614.695720 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -118.656 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -87.423 tors. eta vs tors. theta energy: -147.126 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: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1859.753006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.753006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.753006 (E_RNA) where: Base-Base interactions energy: -1258.284 where: short stacking energy: -557.161 Base-Backbone interact. energy: -1.221 local terms energy: -600.248514 where: bonds (distance) C4'-P energy: -120.789 bonds (distance) P-C4' energy: -126.145 flat angles C4'-P-C4' energy: -130.327 flat angles P-C4'-P energy: -90.547 tors. eta vs tors. theta energy: -132.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1683.275266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.275266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.275266 (E_RNA) where: Base-Base interactions energy: -1152.031 where: short stacking energy: -496.187 Base-Backbone interact. energy: -4.169 local terms energy: -527.075235 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -116.828 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -108.745 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: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1535.261053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.261053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.261053 (E_RNA) where: Base-Base interactions energy: -1030.367 where: short stacking energy: -477.408 Base-Backbone interact. energy: 0.749 local terms energy: -505.642640 where: bonds (distance) C4'-P energy: -93.892 bonds (distance) P-C4' energy: -115.554 flat angles C4'-P-C4' energy: -126.364 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -82.911 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: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1218.933206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.933206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.933206 (E_RNA) where: Base-Base interactions energy: -774.012 where: short stacking energy: -363.678 Base-Backbone interact. energy: 2.036 local terms energy: -446.956577 where: bonds (distance) C4'-P energy: -114.527 bonds (distance) P-C4' energy: -114.379 flat angles C4'-P-C4' energy: -113.144 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: -36.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -919.107074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.107074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.107074 (E_RNA) where: Base-Base interactions energy: -549.687 where: short stacking energy: -274.884 Base-Backbone interact. energy: 4.840 local terms energy: -374.259792 where: bonds (distance) C4'-P energy: -100.531 bonds (distance) P-C4' energy: -110.345 flat angles C4'-P-C4' energy: -100.708 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2495.469750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.469750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.469750 (E_RNA) where: Base-Base interactions energy: -1730.711 where: short stacking energy: -767.148 Base-Backbone interact. energy: -0.826 local terms energy: -763.932080 where: bonds (distance) C4'-P energy: -135.303 bonds (distance) P-C4' energy: -148.518 flat angles C4'-P-C4' energy: -151.274 flat angles P-C4'-P energy: -107.495 tors. eta vs tors. theta energy: -221.342 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: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2435.627981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.627981 (E_RNA) where: Base-Base interactions energy: -1701.175 where: short stacking energy: -700.397 Base-Backbone interact. energy: -7.387 local terms energy: -727.065948 where: bonds (distance) C4'-P energy: -139.415 bonds (distance) P-C4' energy: -142.154 flat angles C4'-P-C4' energy: -154.769 flat angles P-C4'-P energy: -102.397 tors. eta vs tors. theta energy: -188.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2131.552759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.552759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.552759 (E_RNA) where: Base-Base interactions energy: -1483.565 where: short stacking energy: -630.503 Base-Backbone interact. energy: -2.999 local terms energy: -644.988639 where: bonds (distance) C4'-P energy: -120.834 bonds (distance) P-C4' energy: -129.752 flat angles C4'-P-C4' energy: -138.378 flat angles P-C4'-P energy: -90.638 tors. eta vs tors. theta energy: -165.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2094.922035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.922035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.922035 (E_RNA) where: Base-Base interactions energy: -1443.974 where: short stacking energy: -613.897 Base-Backbone interact. energy: -5.712 local terms energy: -645.236009 where: bonds (distance) C4'-P energy: -107.727 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -142.188 flat angles P-C4'-P energy: -97.397 tors. eta vs tors. theta energy: -153.744 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: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1973.611537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.611537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.611537 (E_RNA) where: Base-Base interactions energy: -1335.697 where: short stacking energy: -599.375 Base-Backbone interact. energy: -2.895 local terms energy: -635.020114 where: bonds (distance) C4'-P energy: -114.499 bonds (distance) P-C4' energy: -135.006 flat angles C4'-P-C4' energy: -137.603 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -155.068 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: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1937.797269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.797269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.797269 (E_RNA) where: Base-Base interactions energy: -1319.699 where: short stacking energy: -603.536 Base-Backbone interact. energy: -1.357 local terms energy: -616.741794 where: bonds (distance) C4'-P energy: -107.410 bonds (distance) P-C4' energy: -128.091 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -83.449 tors. eta vs tors. theta energy: -157.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1669.281329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.281329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.281329 (E_RNA) where: Base-Base interactions energy: -1141.697 where: short stacking energy: -487.698 Base-Backbone interact. energy: -0.807 local terms energy: -526.776921 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -126.612 flat angles C4'-P-C4' energy: -117.081 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -108.373 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: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1533.552419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.552419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.552419 (E_RNA) where: Base-Base interactions energy: -1006.621 where: short stacking energy: -448.955 Base-Backbone interact. energy: -3.256 local terms energy: -523.675139 where: bonds (distance) C4'-P energy: -107.473 bonds (distance) P-C4' energy: -112.918 flat angles C4'-P-C4' energy: -126.125 flat angles P-C4'-P energy: -88.764 tors. eta vs tors. theta energy: -88.396 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1157.346317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.346317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.346317 (E_RNA) where: Base-Base interactions energy: -701.473 where: short stacking energy: -365.828 Base-Backbone interact. energy: 0.595 local terms energy: -456.468175 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -127.766 flat angles C4'-P-C4' energy: -124.082 flat angles P-C4'-P energy: -66.814 tors. eta vs tors. theta energy: -51.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -941.088953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.088953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.088953 (E_RNA) where: Base-Base interactions energy: -537.234 where: short stacking energy: -296.213 Base-Backbone interact. energy: 0.947 local terms energy: -404.802590 where: bonds (distance) C4'-P energy: -116.748 bonds (distance) P-C4' energy: -103.546 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -49.790 tors. eta vs tors. theta energy: -22.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2482.050851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.050851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.050851 (E_RNA) where: Base-Base interactions energy: -1729.609 where: short stacking energy: -778.470 Base-Backbone interact. energy: -3.073 local terms energy: -749.369387 where: bonds (distance) C4'-P energy: -127.902 bonds (distance) P-C4' energy: -140.103 flat angles C4'-P-C4' energy: -156.563 flat angles P-C4'-P energy: -109.303 tors. eta vs tors. theta energy: -215.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2383.773862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.773862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.773862 (E_RNA) where: Base-Base interactions energy: -1692.677 where: short stacking energy: -712.701 Base-Backbone interact. energy: 1.091 local terms energy: -692.187678 where: bonds (distance) C4'-P energy: -132.391 bonds (distance) P-C4' energy: -124.486 flat angles C4'-P-C4' energy: -148.253 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: -191.871 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: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2163.688225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.688225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.688225 (E_RNA) where: Base-Base interactions energy: -1505.445 where: short stacking energy: -615.684 Base-Backbone interact. energy: -5.808 local terms energy: -652.435369 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -127.164 flat angles C4'-P-C4' energy: -132.628 flat angles P-C4'-P energy: -93.480 tors. eta vs tors. theta energy: -174.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2118.639546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.639546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.639546 (E_RNA) where: Base-Base interactions energy: -1456.174 where: short stacking energy: -647.919 Base-Backbone interact. energy: -3.107 local terms energy: -659.358811 where: bonds (distance) C4'-P energy: -119.354 bonds (distance) P-C4' energy: -122.454 flat angles C4'-P-C4' energy: -143.511 flat angles P-C4'-P energy: -102.832 tors. eta vs tors. theta energy: -171.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1996.071001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.071001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.071001 (E_RNA) where: Base-Base interactions energy: -1369.226 where: short stacking energy: -579.479 Base-Backbone interact. energy: 2.778 local terms energy: -629.622940 where: bonds (distance) C4'-P energy: -119.104 bonds (distance) P-C4' energy: -130.448 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -92.605 tors. eta vs tors. theta energy: -153.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1898.900365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.900365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.900365 (E_RNA) where: Base-Base interactions energy: -1297.378 where: short stacking energy: -556.811 Base-Backbone interact. energy: -3.051 local terms energy: -598.472006 where: bonds (distance) C4'-P energy: -112.901 bonds (distance) P-C4' energy: -112.670 flat angles C4'-P-C4' energy: -140.792 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -146.101 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: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1605.754699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.754699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.754699 (E_RNA) where: Base-Base interactions energy: -1106.006 where: short stacking energy: -496.327 Base-Backbone interact. energy: -2.862 local terms energy: -496.887036 where: bonds (distance) C4'-P energy: -113.333 bonds (distance) P-C4' energy: -97.263 flat angles C4'-P-C4' energy: -113.648 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -99.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1580.985619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.985619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.985619 (E_RNA) where: Base-Base interactions energy: -1046.486 where: short stacking energy: -441.079 Base-Backbone interact. energy: -4.131 local terms energy: -530.368956 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -125.742 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -101.821 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: 146 Temperature: 1.300000 Total energy: -1173.151757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.151757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.151757 (E_RNA) where: Base-Base interactions energy: -732.134 where: short stacking energy: -352.961 Base-Backbone interact. energy: 1.377 local terms energy: -442.395108 where: bonds (distance) C4'-P energy: -112.746 bonds (distance) P-C4' energy: -114.384 flat angles C4'-P-C4' energy: -107.344 flat angles P-C4'-P energy: -61.211 tors. eta vs tors. theta energy: -46.710 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: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -941.546376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.546376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.546376 (E_RNA) where: Base-Base interactions energy: -535.385 where: short stacking energy: -263.204 Base-Backbone interact. energy: 0.785 local terms energy: -406.946210 where: bonds (distance) C4'-P energy: -108.335 bonds (distance) P-C4' energy: -121.642 flat angles C4'-P-C4' energy: -98.627 flat angles P-C4'-P energy: -66.941 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: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2453.530751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.530751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.530751 (E_RNA) where: Base-Base interactions energy: -1702.141 where: short stacking energy: -758.231 Base-Backbone interact. energy: 0.881 local terms energy: -752.270700 where: bonds (distance) C4'-P energy: -127.957 bonds (distance) P-C4' energy: -134.943 flat angles C4'-P-C4' energy: -171.165 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -209.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2384.743425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.743425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.743425 (E_RNA) where: Base-Base interactions energy: -1684.200 where: short stacking energy: -712.486 Base-Backbone interact. energy: -2.403 local terms energy: -698.140540 where: bonds (distance) C4'-P energy: -136.705 bonds (distance) P-C4' energy: -122.937 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -101.516 tors. eta vs tors. theta energy: -185.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2155.217947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.217947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.217947 (E_RNA) where: Base-Base interactions energy: -1482.481 where: short stacking energy: -634.547 Base-Backbone interact. energy: -3.649 local terms energy: -669.087595 where: bonds (distance) C4'-P energy: -130.326 bonds (distance) P-C4' energy: -139.466 flat angles C4'-P-C4' energy: -140.932 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -166.131 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: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2106.187682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.187682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.187682 (E_RNA) where: Base-Base interactions energy: -1459.209 where: short stacking energy: -663.172 Base-Backbone interact. energy: -2.958 local terms energy: -644.020429 where: bonds (distance) C4'-P energy: -132.407 bonds (distance) P-C4' energy: -135.716 flat angles C4'-P-C4' energy: -130.032 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2040.483724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.483724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.483724 (E_RNA) where: Base-Base interactions energy: -1379.057 where: short stacking energy: -605.870 Base-Backbone interact. energy: 2.160 local terms energy: -663.586911 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -139.728 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -104.759 tors. eta vs tors. theta energy: -148.872 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: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1907.763707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.763707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.763707 (E_RNA) where: Base-Base interactions energy: -1333.875 where: short stacking energy: -560.221 Base-Backbone interact. energy: -1.575 local terms energy: -572.313818 where: bonds (distance) C4'-P energy: -102.149 bonds (distance) P-C4' energy: -113.553 flat angles C4'-P-C4' energy: -139.843 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -149.371 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: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1613.779996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.779996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.779996 (E_RNA) where: Base-Base interactions energy: -1090.877 where: short stacking energy: -497.153 Base-Backbone interact. energy: -1.909 local terms energy: -520.993587 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -133.703 flat angles P-C4'-P energy: -77.910 tors. eta vs tors. theta energy: -100.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1553.500251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.500251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.500251 (E_RNA) where: Base-Base interactions energy: -1041.935 where: short stacking energy: -459.342 Base-Backbone interact. energy: -5.218 local terms energy: -506.347174 where: bonds (distance) C4'-P energy: -133.998 bonds (distance) P-C4' energy: -107.947 flat angles C4'-P-C4' energy: -123.035 flat angles P-C4'-P energy: -53.846 tors. eta vs tors. theta energy: -87.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1193.785232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.785232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.785232 (E_RNA) where: Base-Base interactions energy: -756.554 where: short stacking energy: -363.109 Base-Backbone interact. energy: 4.675 local terms energy: -441.905903 where: bonds (distance) C4'-P energy: -99.394 bonds (distance) P-C4' energy: -102.633 flat angles C4'-P-C4' energy: -118.454 flat angles P-C4'-P energy: -64.588 tors. eta vs tors. theta energy: -56.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -985.661244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.661244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.661244 (E_RNA) where: Base-Base interactions energy: -613.802 where: short stacking energy: -322.880 Base-Backbone interact. energy: 0.116 local terms energy: -371.974902 where: bonds (distance) C4'-P energy: -94.428 bonds (distance) P-C4' energy: -112.114 flat angles C4'-P-C4' energy: -91.614 flat angles P-C4'-P energy: -55.456 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: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2465.931712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.931712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.931712 (E_RNA) where: Base-Base interactions energy: -1694.636 where: short stacking energy: -742.466 Base-Backbone interact. energy: -2.729 local terms energy: -768.566638 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -142.305 flat angles C4'-P-C4' energy: -167.823 flat angles P-C4'-P energy: -109.172 tors. eta vs tors. theta energy: -216.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2392.532414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.532414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.532414 (E_RNA) where: Base-Base interactions energy: -1715.214 where: short stacking energy: -707.558 Base-Backbone interact. energy: -1.658 local terms energy: -675.660739 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -124.775 flat angles C4'-P-C4' energy: -144.194 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -180.797 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: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2218.645963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.645963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.645963 (E_RNA) where: Base-Base interactions energy: -1504.857 where: short stacking energy: -679.160 Base-Backbone interact. energy: 3.231 local terms energy: -717.020143 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -140.638 flat angles C4'-P-C4' energy: -154.506 flat angles P-C4'-P energy: -107.931 tors. eta vs tors. theta energy: -181.759 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: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2057.052699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.052699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.052699 (E_RNA) where: Base-Base interactions energy: -1455.108 where: short stacking energy: -618.924 Base-Backbone interact. energy: -1.122 local terms energy: -600.823188 where: bonds (distance) C4'-P energy: -118.470 bonds (distance) P-C4' energy: -111.794 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -146.078 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: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1964.906619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.906619 (E_RNA) where: Base-Base interactions energy: -1336.673 where: short stacking energy: -609.932 Base-Backbone interact. energy: 1.999 local terms energy: -630.232092 where: bonds (distance) C4'-P energy: -113.677 bonds (distance) P-C4' energy: -128.477 flat angles C4'-P-C4' energy: -138.984 flat angles P-C4'-P energy: -86.951 tors. eta vs tors. theta energy: -162.142 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: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1911.787981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.787981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.787981 (E_RNA) where: Base-Base interactions energy: -1351.304 where: short stacking energy: -586.239 Base-Backbone interact. energy: -2.460 local terms energy: -558.024566 where: bonds (distance) C4'-P energy: -115.914 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -125.486 flat angles P-C4'-P energy: -71.967 tors. eta vs tors. theta energy: -141.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1675.460472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.460472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.460472 (E_RNA) where: Base-Base interactions energy: -1112.116 where: short stacking energy: -500.136 Base-Backbone interact. energy: -1.024 local terms energy: -562.321068 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -126.861 flat angles C4'-P-C4' energy: -129.755 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -104.864 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: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1516.991290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.991290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.991290 (E_RNA) where: Base-Base interactions energy: -1022.647 where: short stacking energy: -426.513 Base-Backbone interact. energy: -1.258 local terms energy: -493.086847 where: bonds (distance) C4'-P energy: -95.973 bonds (distance) P-C4' energy: -122.300 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -90.567 tors. eta vs tors. theta energy: -78.621 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: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1199.483028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.483028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.483028 (E_RNA) where: Base-Base interactions energy: -764.945 where: short stacking energy: -355.153 Base-Backbone interact. energy: 0.130 local terms energy: -434.667300 where: bonds (distance) C4'-P energy: -114.108 bonds (distance) P-C4' energy: -109.435 flat angles C4'-P-C4' energy: -109.322 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: -43.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -935.194637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.194637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.194637 (E_RNA) where: Base-Base interactions energy: -551.241 where: short stacking energy: -287.197 Base-Backbone interact. energy: 3.122 local terms energy: -387.075463 where: bonds (distance) C4'-P energy: -103.370 bonds (distance) P-C4' energy: -101.538 flat angles C4'-P-C4' energy: -111.354 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -15.849 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: 149 Temperature: 0.900000 Total energy: -2459.054942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.054942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.054942 (E_RNA) where: Base-Base interactions energy: -1703.381 where: short stacking energy: -754.245 Base-Backbone interact. energy: -0.760 local terms energy: -754.914525 where: bonds (distance) C4'-P energy: -140.302 bonds (distance) P-C4' energy: -146.133 flat angles C4'-P-C4' energy: -156.773 flat angles P-C4'-P energy: -95.714 tors. eta vs tors. theta energy: -215.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2385.223993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.223993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.223993 (E_RNA) where: Base-Base interactions energy: -1664.974 where: short stacking energy: -692.476 Base-Backbone interact. energy: -1.044 local terms energy: -719.205183 where: bonds (distance) C4'-P energy: -127.212 bonds (distance) P-C4' energy: -144.074 flat angles C4'-P-C4' energy: -164.088 flat angles P-C4'-P energy: -99.934 tors. eta vs tors. theta energy: -183.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2201.970263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.970263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.970263 (E_RNA) where: Base-Base interactions energy: -1513.177 where: short stacking energy: -683.941 Base-Backbone interact. energy: -3.206 local terms energy: -685.587105 where: bonds (distance) C4'-P energy: -122.068 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -144.670 flat angles P-C4'-P energy: -109.525 tors. eta vs tors. theta energy: -172.715 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: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2047.516280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.516280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.516280 (E_RNA) where: Base-Base interactions energy: -1411.392 where: short stacking energy: -588.860 Base-Backbone interact. energy: -2.073 local terms energy: -634.051415 where: bonds (distance) C4'-P energy: -118.554 bonds (distance) P-C4' energy: -135.608 flat angles C4'-P-C4' energy: -142.708 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -147.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1943.078812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.078812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.078812 (E_RNA) where: Base-Base interactions energy: -1321.521 where: short stacking energy: -578.850 Base-Backbone interact. energy: 4.543 local terms energy: -626.101581 where: bonds (distance) C4'-P energy: -130.463 bonds (distance) P-C4' energy: -117.531 flat angles C4'-P-C4' energy: -135.728 flat angles P-C4'-P energy: -100.180 tors. eta vs tors. theta energy: -142.199 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: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1860.003748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.003748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.003748 (E_RNA) where: Base-Base interactions energy: -1270.053 where: short stacking energy: -534.190 Base-Backbone interact. energy: -1.634 local terms energy: -588.317446 where: bonds (distance) C4'-P energy: -121.304 bonds (distance) P-C4' energy: -140.400 flat angles C4'-P-C4' energy: -116.701 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -137.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1669.660949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.660949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.660949 (E_RNA) where: Base-Base interactions energy: -1111.288 where: short stacking energy: -490.591 Base-Backbone interact. energy: -3.347 local terms energy: -555.025931 where: bonds (distance) C4'-P energy: -111.784 bonds (distance) P-C4' energy: -121.079 flat angles C4'-P-C4' energy: -143.241 flat angles P-C4'-P energy: -61.846 tors. eta vs tors. theta energy: -117.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1478.652733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.652733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.652733 (E_RNA) where: Base-Base interactions energy: -980.013 where: short stacking energy: -423.882 Base-Backbone interact. energy: -3.872 local terms energy: -494.768428 where: bonds (distance) C4'-P energy: -106.875 bonds (distance) P-C4' energy: -107.854 flat angles C4'-P-C4' energy: -133.508 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -74.221 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1305.915150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.915150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.915150 (E_RNA) where: Base-Base interactions energy: -839.422 where: short stacking energy: -384.959 Base-Backbone interact. energy: 4.422 local terms energy: -470.915157 where: bonds (distance) C4'-P energy: -115.623 bonds (distance) P-C4' energy: -116.266 flat angles C4'-P-C4' energy: -119.761 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -62.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1024.552746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.552746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.552746 (E_RNA) where: Base-Base interactions energy: -627.469 where: short stacking energy: -311.120 Base-Backbone interact. energy: -1.667 local terms energy: -395.417290 where: bonds (distance) C4'-P energy: -99.914 bonds (distance) P-C4' energy: -100.278 flat angles C4'-P-C4' energy: -101.508 flat angles P-C4'-P energy: -62.793 tors. eta vs tors. theta energy: -30.923 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: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2481.118523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.118523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.118523 (E_RNA) where: Base-Base interactions energy: -1756.423 where: short stacking energy: -737.316 Base-Backbone interact. energy: -8.242 local terms energy: -716.453420 where: bonds (distance) C4'-P energy: -126.965 bonds (distance) P-C4' energy: -136.038 flat angles C4'-P-C4' energy: -153.315 flat angles P-C4'-P energy: -103.839 tors. eta vs tors. theta energy: -196.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2413.308629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.308629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.308629 (E_RNA) where: Base-Base interactions energy: -1665.291 where: short stacking energy: -737.956 Base-Backbone interact. energy: -5.146 local terms energy: -742.872320 where: bonds (distance) C4'-P energy: -131.684 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -90.363 tors. eta vs tors. theta energy: -217.099 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: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2200.091278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.091278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.091278 (E_RNA) where: Base-Base interactions energy: -1532.377 where: short stacking energy: -699.645 Base-Backbone interact. energy: 0.004 local terms energy: -667.718557 where: bonds (distance) C4'-P energy: -134.513 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -149.215 flat angles P-C4'-P energy: -82.853 tors. eta vs tors. theta energy: -177.377 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: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2059.032575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.032575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.032575 (E_RNA) where: Base-Base interactions energy: -1432.504 where: short stacking energy: -624.194 Base-Backbone interact. energy: -0.997 local terms energy: -625.531807 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -137.881 flat angles C4'-P-C4' energy: -134.482 flat angles P-C4'-P energy: -86.865 tors. eta vs tors. theta energy: -146.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1975.043898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.043898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.043898 (E_RNA) where: Base-Base interactions energy: -1342.218 where: short stacking energy: -616.128 Base-Backbone interact. energy: -2.060 local terms energy: -632.636859 where: bonds (distance) C4'-P energy: -103.411 bonds (distance) P-C4' energy: -131.016 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -165.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.871 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1883.892604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.892604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.892604 (E_RNA) where: Base-Base interactions energy: -1286.661 where: short stacking energy: -554.552 Base-Backbone interact. energy: -4.915 local terms energy: -592.317169 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -128.209 flat angles C4'-P-C4' energy: -124.189 flat angles P-C4'-P energy: -96.032 tors. eta vs tors. theta energy: -134.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1666.860475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.860475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.860475 (E_RNA) where: Base-Base interactions energy: -1130.597 where: short stacking energy: -504.314 Base-Backbone interact. energy: -0.718 local terms energy: -535.544949 where: bonds (distance) C4'-P energy: -97.690 bonds (distance) P-C4' energy: -126.098 flat angles C4'-P-C4' energy: -129.535 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -117.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1515.392875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.392875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.392875 (E_RNA) where: Base-Base interactions energy: -1029.684 where: short stacking energy: -426.972 Base-Backbone interact. energy: -2.689 local terms energy: -483.020110 where: bonds (distance) C4'-P energy: -99.398 bonds (distance) P-C4' energy: -119.024 flat angles C4'-P-C4' energy: -115.900 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -82.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1306.383479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.383479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.383479 (E_RNA) where: Base-Base interactions energy: -847.976 where: short stacking energy: -387.803 Base-Backbone interact. energy: -2.673 local terms energy: -456.345148 where: bonds (distance) C4'-P energy: -111.276 bonds (distance) P-C4' energy: -113.561 flat angles C4'-P-C4' energy: -89.114 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -72.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.611 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1006.415965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.415965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.415965 (E_RNA) where: Base-Base interactions energy: -606.685 where: short stacking energy: -249.260 Base-Backbone interact. energy: 2.222 local terms energy: -401.952341 where: bonds (distance) C4'-P energy: -95.370 bonds (distance) P-C4' energy: -127.969 flat angles C4'-P-C4' energy: -107.823 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2495.822890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.822890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.822890 (E_RNA) where: Base-Base interactions energy: -1753.153 where: short stacking energy: -743.596 Base-Backbone interact. energy: 0.831 local terms energy: -743.500717 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -143.454 flat angles C4'-P-C4' energy: -154.799 flat angles P-C4'-P energy: -111.194 tors. eta vs tors. theta energy: -197.169 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: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2434.095193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.095193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.095193 (E_RNA) where: Base-Base interactions energy: -1686.927 where: short stacking energy: -748.045 Base-Backbone interact. energy: -4.976 local terms energy: -742.191951 where: bonds (distance) C4'-P energy: -124.004 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -152.956 flat angles P-C4'-P energy: -111.268 tors. eta vs tors. theta energy: -215.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2188.456475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.456475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.456475 (E_RNA) where: Base-Base interactions energy: -1498.907 where: short stacking energy: -653.918 Base-Backbone interact. energy: -0.354 local terms energy: -689.195617 where: bonds (distance) C4'-P energy: -129.228 bonds (distance) P-C4' energy: -144.662 flat angles C4'-P-C4' energy: -132.642 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -178.155 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: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2107.414310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.414310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.414310 (E_RNA) where: Base-Base interactions energy: -1453.199 where: short stacking energy: -597.842 Base-Backbone interact. energy: -1.629 local terms energy: -652.586215 where: bonds (distance) C4'-P energy: -131.415 bonds (distance) P-C4' energy: -133.786 flat angles C4'-P-C4' energy: -134.026 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -151.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1979.328442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.328442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.328442 (E_RNA) where: Base-Base interactions energy: -1341.881 where: short stacking energy: -576.562 Base-Backbone interact. energy: -0.222 local terms energy: -637.225503 where: bonds (distance) C4'-P energy: -121.646 bonds (distance) P-C4' energy: -130.231 flat angles C4'-P-C4' energy: -145.297 flat angles P-C4'-P energy: -84.480 tors. eta vs tors. theta energy: -155.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1892.262957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.262957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.262957 (E_RNA) where: Base-Base interactions energy: -1290.558 where: short stacking energy: -559.999 Base-Backbone interact. energy: -2.746 local terms energy: -598.958864 where: bonds (distance) C4'-P energy: -110.045 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -140.276 flat angles P-C4'-P energy: -95.968 tors. eta vs tors. theta energy: -128.056 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: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1689.863599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.863599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.863599 (E_RNA) where: Base-Base interactions energy: -1142.485 where: short stacking energy: -503.044 Base-Backbone interact. energy: -2.245 local terms energy: -545.133219 where: bonds (distance) C4'-P energy: -108.417 bonds (distance) P-C4' energy: -112.535 flat angles C4'-P-C4' energy: -123.816 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -125.196 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: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1470.507742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.507742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.507742 (E_RNA) where: Base-Base interactions energy: -971.199 where: short stacking energy: -419.617 Base-Backbone interact. energy: -3.696 local terms energy: -495.612954 where: bonds (distance) C4'-P energy: -98.601 bonds (distance) P-C4' energy: -116.413 flat angles C4'-P-C4' energy: -125.957 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -93.112 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: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1374.751558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.751558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.751558 (E_RNA) where: Base-Base interactions energy: -900.958 where: short stacking energy: -398.551 Base-Backbone interact. energy: 4.790 local terms energy: -478.583400 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -110.901 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -78.722 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: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1090.550932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.550932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.550932 (E_RNA) where: Base-Base interactions energy: -697.346 where: short stacking energy: -337.571 Base-Backbone interact. energy: 2.114 local terms energy: -395.318854 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -103.644 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -44.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2488.650645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.650645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.650645 (E_RNA) where: Base-Base interactions energy: -1753.784 where: short stacking energy: -731.639 Base-Backbone interact. energy: -3.090 local terms energy: -731.776447 where: bonds (distance) C4'-P energy: -139.509 bonds (distance) P-C4' energy: -129.908 flat angles C4'-P-C4' energy: -170.108 flat angles P-C4'-P energy: -100.511 tors. eta vs tors. theta energy: -191.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2415.653165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.653165 (E_RNA) where: Base-Base interactions energy: -1691.433 where: short stacking energy: -753.951 Base-Backbone interact. energy: -2.768 local terms energy: -721.452200 where: bonds (distance) C4'-P energy: -125.949 bonds (distance) P-C4' energy: -131.796 flat angles C4'-P-C4' energy: -152.240 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -209.611 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: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2178.003116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.003116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.003116 (E_RNA) where: Base-Base interactions energy: -1497.439 where: short stacking energy: -670.169 Base-Backbone interact. energy: -0.631 local terms energy: -679.932977 where: bonds (distance) C4'-P energy: -136.116 bonds (distance) P-C4' energy: -127.623 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -184.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2101.857071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.857071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.857071 (E_RNA) where: Base-Base interactions energy: -1475.409 where: short stacking energy: -608.418 Base-Backbone interact. energy: -3.172 local terms energy: -623.275976 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -139.466 flat angles P-C4'-P energy: -91.209 tors. eta vs tors. theta energy: -149.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2029.183628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.183628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.183628 (E_RNA) where: Base-Base interactions energy: -1397.951 where: short stacking energy: -603.145 Base-Backbone interact. energy: 0.352 local terms energy: -631.584472 where: bonds (distance) C4'-P energy: -132.777 bonds (distance) P-C4' energy: -131.480 flat angles C4'-P-C4' energy: -130.248 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -146.160 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: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1915.081713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.081713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.081713 (E_RNA) where: Base-Base interactions energy: -1329.949 where: short stacking energy: -590.020 Base-Backbone interact. energy: 3.014 local terms energy: -588.145925 where: bonds (distance) C4'-P energy: -116.982 bonds (distance) P-C4' energy: -120.013 flat angles C4'-P-C4' energy: -122.525 flat angles P-C4'-P energy: -90.806 tors. eta vs tors. theta energy: -137.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1660.221198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.221198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.221198 (E_RNA) where: Base-Base interactions energy: -1129.192 where: short stacking energy: -504.369 Base-Backbone interact. energy: -2.774 local terms energy: -528.255770 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -130.336 flat angles P-C4'-P energy: -66.245 tors. eta vs tors. theta energy: -122.203 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: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1382.104679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.104679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.104679 (E_RNA) where: Base-Base interactions energy: -933.396 where: short stacking energy: -414.252 Base-Backbone interact. energy: -1.820 local terms energy: -446.887849 where: bonds (distance) C4'-P energy: -88.885 bonds (distance) P-C4' energy: -105.030 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -78.123 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: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1314.605519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.605519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.605519 (E_RNA) where: Base-Base interactions energy: -860.963 where: short stacking energy: -364.839 Base-Backbone interact. energy: -2.701 local terms energy: -450.941421 where: bonds (distance) C4'-P energy: -107.285 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -118.532 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -63.338 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: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1100.735837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.735837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.735837 (E_RNA) where: Base-Base interactions energy: -657.133 where: short stacking energy: -323.373 Base-Backbone interact. energy: -3.988 local terms energy: -439.614518 where: bonds (distance) C4'-P energy: -105.990 bonds (distance) P-C4' energy: -102.474 flat angles C4'-P-C4' energy: -124.587 flat angles P-C4'-P energy: -54.757 tors. eta vs tors. theta energy: -51.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2449.447161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.447161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.447161 (E_RNA) where: Base-Base interactions energy: -1717.294 where: short stacking energy: -731.154 Base-Backbone interact. energy: -3.817 local terms energy: -728.336507 where: bonds (distance) C4'-P energy: -137.482 bonds (distance) P-C4' energy: -132.975 flat angles C4'-P-C4' energy: -155.288 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -199.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2407.004498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.004498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.004498 (E_RNA) where: Base-Base interactions energy: -1664.899 where: short stacking energy: -741.543 Base-Backbone interact. energy: -1.295 local terms energy: -740.809831 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -130.753 flat angles C4'-P-C4' energy: -157.040 flat angles P-C4'-P energy: -102.704 tors. eta vs tors. theta energy: -213.898 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: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2137.713970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.713970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.713970 (E_RNA) where: Base-Base interactions energy: -1463.851 where: short stacking energy: -678.765 Base-Backbone interact. energy: 0.863 local terms energy: -674.725565 where: bonds (distance) C4'-P energy: -129.781 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -150.677 flat angles P-C4'-P energy: -99.937 tors. eta vs tors. theta energy: -176.445 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: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2083.335411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.335411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.335411 (E_RNA) where: Base-Base interactions energy: -1443.227 where: short stacking energy: -614.733 Base-Backbone interact. energy: -1.540 local terms energy: -638.568787 where: bonds (distance) C4'-P energy: -122.514 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -147.438 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: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1993.955925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.955925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.955925 (E_RNA) where: Base-Base interactions energy: -1379.444 where: short stacking energy: -600.251 Base-Backbone interact. energy: -0.479 local terms energy: -614.032334 where: bonds (distance) C4'-P energy: -96.805 bonds (distance) P-C4' energy: -110.179 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -95.088 tors. eta vs tors. theta energy: -170.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1908.340447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.340447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.340447 (E_RNA) where: Base-Base interactions energy: -1297.342 where: short stacking energy: -589.427 Base-Backbone interact. energy: -1.850 local terms energy: -609.148998 where: bonds (distance) C4'-P energy: -110.495 bonds (distance) P-C4' energy: -123.666 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -90.391 tors. eta vs tors. theta energy: -146.406 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: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1647.131129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.131129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.131129 (E_RNA) where: Base-Base interactions energy: -1103.264 where: short stacking energy: -483.986 Base-Backbone interact. energy: -1.998 local terms energy: -541.868626 where: bonds (distance) C4'-P energy: -107.783 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -115.500 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: -107.169 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: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1485.142446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.142446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.142446 (E_RNA) where: Base-Base interactions energy: -995.054 where: short stacking energy: -423.843 Base-Backbone interact. energy: -1.904 local terms energy: -488.184657 where: bonds (distance) C4'-P energy: -99.501 bonds (distance) P-C4' energy: -115.085 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -81.229 tors. eta vs tors. theta energy: -79.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1400.843928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.843928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.843928 (E_RNA) where: Base-Base interactions energy: -971.954 where: short stacking energy: -429.921 Base-Backbone interact. energy: 1.696 local terms energy: -430.585361 where: bonds (distance) C4'-P energy: -102.575 bonds (distance) P-C4' energy: -81.891 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -80.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1112.210282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.210282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.210282 (E_RNA) where: Base-Base interactions energy: -698.773 where: short stacking energy: -359.384 Base-Backbone interact. energy: -0.881 local terms energy: -412.556506 where: bonds (distance) C4'-P energy: -89.203 bonds (distance) P-C4' energy: -120.292 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -50.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2464.387046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.387046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.387046 (E_RNA) where: Base-Base interactions energy: -1737.901 where: short stacking energy: -727.053 Base-Backbone interact. energy: -1.839 local terms energy: -724.646975 where: bonds (distance) C4'-P energy: -129.377 bonds (distance) P-C4' energy: -142.223 flat angles C4'-P-C4' energy: -161.618 flat angles P-C4'-P energy: -100.580 tors. eta vs tors. theta energy: -190.850 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: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2423.472366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.472366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.472366 (E_RNA) where: Base-Base interactions energy: -1684.045 where: short stacking energy: -774.212 Base-Backbone interact. energy: -1.979 local terms energy: -737.448638 where: bonds (distance) C4'-P energy: -133.559 bonds (distance) P-C4' energy: -130.378 flat angles C4'-P-C4' energy: -161.731 flat angles P-C4'-P energy: -96.417 tors. eta vs tors. theta energy: -215.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2192.072540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.072540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.072540 (E_RNA) where: Base-Base interactions energy: -1516.844 where: short stacking energy: -647.818 Base-Backbone interact. energy: -1.227 local terms energy: -674.000814 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -132.851 flat angles C4'-P-C4' energy: -149.478 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -166.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2064.774343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.774343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.774343 (E_RNA) where: Base-Base interactions energy: -1424.750 where: short stacking energy: -604.142 Base-Backbone interact. energy: -3.420 local terms energy: -636.604714 where: bonds (distance) C4'-P energy: -128.498 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -129.458 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -149.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1997.729303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.729303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.729303 (E_RNA) where: Base-Base interactions energy: -1360.002 where: short stacking energy: -600.595 Base-Backbone interact. energy: -0.687 local terms energy: -637.039425 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -130.621 flat angles C4'-P-C4' energy: -142.127 flat angles P-C4'-P energy: -70.040 tors. eta vs tors. theta energy: -171.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1887.240916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.240916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.240916 (E_RNA) where: Base-Base interactions energy: -1289.934 where: short stacking energy: -556.280 Base-Backbone interact. energy: -1.682 local terms energy: -595.624595 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -112.337 flat angles P-C4'-P energy: -94.580 tors. eta vs tors. theta energy: -129.268 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: 154 Temperature: 1.200000 Total energy: -1687.896111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.896111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.896111 (E_RNA) where: Base-Base interactions energy: -1134.712 where: short stacking energy: -518.773 Base-Backbone interact. energy: -1.337 local terms energy: -551.846936 where: bonds (distance) C4'-P energy: -106.726 bonds (distance) P-C4' energy: -120.834 flat angles C4'-P-C4' energy: -118.406 flat angles P-C4'-P energy: -75.926 tors. eta vs tors. theta energy: -129.955 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: 154 Temperature: 1.250000 Total energy: -1485.619723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.619723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.619723 (E_RNA) where: Base-Base interactions energy: -998.613 where: short stacking energy: -442.104 Base-Backbone interact. energy: 0.002 local terms energy: -487.008586 where: bonds (distance) C4'-P energy: -81.637 bonds (distance) P-C4' energy: -130.208 flat angles C4'-P-C4' energy: -119.139 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -79.981 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1348.516887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.516887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.516887 (E_RNA) where: Base-Base interactions energy: -908.909 where: short stacking energy: -409.471 Base-Backbone interact. energy: 0.297 local terms energy: -439.904418 where: bonds (distance) C4'-P energy: -91.274 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -63.152 tors. eta vs tors. theta energy: -79.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1104.540872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.540872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.540872 (E_RNA) where: Base-Base interactions energy: -687.109 where: short stacking energy: -347.255 Base-Backbone interact. energy: 1.094 local terms energy: -418.525296 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -103.043 flat angles P-C4'-P energy: -57.194 tors. eta vs tors. theta energy: -50.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2474.504511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.504511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.504511 (E_RNA) where: Base-Base interactions energy: -1716.051 where: short stacking energy: -721.626 Base-Backbone interact. energy: -3.447 local terms energy: -755.005916 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -139.517 flat angles C4'-P-C4' energy: -167.747 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -194.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2424.149070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.149070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.149070 (E_RNA) where: Base-Base interactions energy: -1677.076 where: short stacking energy: -726.342 Base-Backbone interact. energy: -3.941 local terms energy: -743.131969 where: bonds (distance) C4'-P energy: -134.818 bonds (distance) P-C4' energy: -137.410 flat angles C4'-P-C4' energy: -143.013 flat angles P-C4'-P energy: -115.219 tors. eta vs tors. theta energy: -212.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2186.357496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.357496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.357496 (E_RNA) where: Base-Base interactions energy: -1493.812 where: short stacking energy: -666.680 Base-Backbone interact. energy: -1.243 local terms energy: -691.302904 where: bonds (distance) C4'-P energy: -124.325 bonds (distance) P-C4' energy: -136.079 flat angles C4'-P-C4' energy: -148.810 flat angles P-C4'-P energy: -103.147 tors. eta vs tors. theta energy: -178.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2079.443319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.443319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.443319 (E_RNA) where: Base-Base interactions energy: -1457.569 where: short stacking energy: -600.566 Base-Backbone interact. energy: -3.243 local terms energy: -618.631900 where: bonds (distance) C4'-P energy: -112.896 bonds (distance) P-C4' energy: -135.857 flat angles C4'-P-C4' energy: -135.225 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: -156.129 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: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2047.372106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.372106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.372106 (E_RNA) where: Base-Base interactions energy: -1428.294 where: short stacking energy: -648.281 Base-Backbone interact. energy: -2.893 local terms energy: -616.185534 where: bonds (distance) C4'-P energy: -102.402 bonds (distance) P-C4' energy: -115.560 flat angles C4'-P-C4' energy: -136.718 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -171.747 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: 155 Temperature: 1.150000 Total energy: -1846.533444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.533444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.533444 (E_RNA) where: Base-Base interactions energy: -1262.432 where: short stacking energy: -557.012 Base-Backbone interact. energy: 0.276 local terms energy: -584.377375 where: bonds (distance) C4'-P energy: -115.470 bonds (distance) P-C4' energy: -109.014 flat angles C4'-P-C4' energy: -137.772 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -133.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1701.378762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.378762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.378762 (E_RNA) where: Base-Base interactions energy: -1154.713 where: short stacking energy: -521.530 Base-Backbone interact. energy: 4.299 local terms energy: -550.964451 where: bonds (distance) C4'-P energy: -125.485 bonds (distance) P-C4' energy: -125.414 flat angles C4'-P-C4' energy: -118.586 flat angles P-C4'-P energy: -68.413 tors. eta vs tors. theta energy: -113.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1520.804899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.804899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.804899 (E_RNA) where: Base-Base interactions energy: -1020.142 where: short stacking energy: -456.713 Base-Backbone interact. energy: -0.506 local terms energy: -500.156472 where: bonds (distance) C4'-P energy: -103.948 bonds (distance) P-C4' energy: -115.202 flat angles C4'-P-C4' energy: -121.448 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -91.966 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: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1360.655470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.655470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.655470 (E_RNA) where: Base-Base interactions energy: -907.927 where: short stacking energy: -378.994 Base-Backbone interact. energy: 2.778 local terms energy: -455.506202 where: bonds (distance) C4'-P energy: -85.972 bonds (distance) P-C4' energy: -109.490 flat angles C4'-P-C4' energy: -118.890 flat angles P-C4'-P energy: -67.797 tors. eta vs tors. theta energy: -73.357 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: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1167.415304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.415304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.415304 (E_RNA) where: Base-Base interactions energy: -720.183 where: short stacking energy: -339.974 Base-Backbone interact. energy: 0.535 local terms energy: -447.767957 where: bonds (distance) C4'-P energy: -106.250 bonds (distance) P-C4' energy: -105.548 flat angles C4'-P-C4' energy: -98.500 flat angles P-C4'-P energy: -87.243 tors. eta vs tors. theta energy: -50.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2462.059186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.059186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.059186 (E_RNA) where: Base-Base interactions energy: -1741.822 where: short stacking energy: -699.177 Base-Backbone interact. energy: -5.861 local terms energy: -714.376035 where: bonds (distance) C4'-P energy: -146.973 bonds (distance) P-C4' energy: -137.732 flat angles C4'-P-C4' energy: -147.779 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -175.499 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: 156 Temperature: 0.950000 Total energy: -2417.017914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.017914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.017914 (E_RNA) where: Base-Base interactions energy: -1655.037 where: short stacking energy: -759.475 Base-Backbone interact. energy: -2.082 local terms energy: -759.899376 where: bonds (distance) C4'-P energy: -130.043 bonds (distance) P-C4' energy: -138.141 flat angles C4'-P-C4' energy: -157.353 flat angles P-C4'-P energy: -110.134 tors. eta vs tors. theta energy: -224.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2172.837905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.837905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.837905 (E_RNA) where: Base-Base interactions energy: -1493.977 where: short stacking energy: -658.074 Base-Backbone interact. energy: -2.722 local terms energy: -676.139179 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -146.892 flat angles C4'-P-C4' energy: -131.188 flat angles P-C4'-P energy: -105.554 tors. eta vs tors. theta energy: -176.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2052.472019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.472019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.472019 (E_RNA) where: Base-Base interactions energy: -1393.170 where: short stacking energy: -603.018 Base-Backbone interact. energy: 0.812 local terms energy: -660.113548 where: bonds (distance) C4'-P energy: -128.870 bonds (distance) P-C4' energy: -135.111 flat angles C4'-P-C4' energy: -135.156 flat angles P-C4'-P energy: -100.376 tors. eta vs tors. theta energy: -160.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2036.248807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.248807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.248807 (E_RNA) where: Base-Base interactions energy: -1381.863 where: short stacking energy: -635.137 Base-Backbone interact. energy: -2.009 local terms energy: -652.376076 where: bonds (distance) C4'-P energy: -119.759 bonds (distance) P-C4' energy: -128.813 flat angles C4'-P-C4' energy: -133.297 flat angles P-C4'-P energy: -93.804 tors. eta vs tors. theta energy: -176.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1835.951857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.951857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.951857 (E_RNA) where: Base-Base interactions energy: -1262.715 where: short stacking energy: -562.296 Base-Backbone interact. energy: -2.270 local terms energy: -570.967200 where: bonds (distance) C4'-P energy: -107.425 bonds (distance) P-C4' energy: -119.234 flat angles C4'-P-C4' energy: -144.039 flat angles P-C4'-P energy: -83.978 tors. eta vs tors. theta energy: -116.290 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: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1696.040066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.040066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.040066 (E_RNA) where: Base-Base interactions energy: -1148.323 where: short stacking energy: -535.662 Base-Backbone interact. energy: 1.615 local terms energy: -549.332503 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -112.689 flat angles C4'-P-C4' energy: -116.672 flat angles P-C4'-P energy: -80.785 tors. eta vs tors. theta energy: -132.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1523.945186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.945186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.945186 (E_RNA) where: Base-Base interactions energy: -1034.835 where: short stacking energy: -456.427 Base-Backbone interact. energy: 1.645 local terms energy: -491.004834 where: bonds (distance) C4'-P energy: -98.588 bonds (distance) P-C4' energy: -116.622 flat angles C4'-P-C4' energy: -107.749 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -94.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.249 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1344.741372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.741372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.741372 (E_RNA) where: Base-Base interactions energy: -873.208 where: short stacking energy: -402.077 Base-Backbone interact. energy: -2.035 local terms energy: -469.498741 where: bonds (distance) C4'-P energy: -106.040 bonds (distance) P-C4' energy: -104.056 flat angles C4'-P-C4' energy: -109.055 flat angles P-C4'-P energy: -69.813 tors. eta vs tors. theta energy: -80.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1160.764812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.764812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.764812 (E_RNA) where: Base-Base interactions energy: -715.046 where: short stacking energy: -343.927 Base-Backbone interact. energy: 0.855 local terms energy: -446.574040 where: bonds (distance) C4'-P energy: -114.354 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -109.653 flat angles P-C4'-P energy: -64.261 tors. eta vs tors. theta energy: -57.473 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: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2503.977474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.977474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.977474 (E_RNA) where: Base-Base interactions energy: -1756.504 where: short stacking energy: -727.402 Base-Backbone interact. energy: -3.414 local terms energy: -744.059163 where: bonds (distance) C4'-P energy: -139.740 bonds (distance) P-C4' energy: -141.341 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -110.859 tors. eta vs tors. theta energy: -193.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2440.639233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.639233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.639233 (E_RNA) where: Base-Base interactions energy: -1690.323 where: short stacking energy: -756.153 Base-Backbone interact. energy: -2.311 local terms energy: -748.005628 where: bonds (distance) C4'-P energy: -134.404 bonds (distance) P-C4' energy: -129.572 flat angles C4'-P-C4' energy: -162.652 flat angles P-C4'-P energy: -102.286 tors. eta vs tors. theta energy: -219.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2190.939486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.939486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.939486 (E_RNA) where: Base-Base interactions energy: -1510.883 where: short stacking energy: -672.592 Base-Backbone interact. energy: -2.955 local terms energy: -677.101413 where: bonds (distance) C4'-P energy: -125.597 bonds (distance) P-C4' energy: -131.395 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -89.526 tors. eta vs tors. theta energy: -173.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2063.168416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.168416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.168416 (E_RNA) where: Base-Base interactions energy: -1421.633 where: short stacking energy: -592.874 Base-Backbone interact. energy: -2.319 local terms energy: -639.216533 where: bonds (distance) C4'-P energy: -126.034 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -139.473 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -156.182 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: 157 Temperature: 1.100000 Total energy: -2000.179387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.179387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.179387 (E_RNA) where: Base-Base interactions energy: -1366.481 where: short stacking energy: -572.257 Base-Backbone interact. energy: -0.757 local terms energy: -632.940667 where: bonds (distance) C4'-P energy: -110.485 bonds (distance) P-C4' energy: -128.635 flat angles C4'-P-C4' energy: -136.273 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -154.626 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: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1910.364299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.364299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.364299 (E_RNA) where: Base-Base interactions energy: -1305.159 where: short stacking energy: -568.326 Base-Backbone interact. energy: 2.211 local terms energy: -607.415838 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -132.228 flat angles C4'-P-C4' energy: -136.928 flat angles P-C4'-P energy: -86.861 tors. eta vs tors. theta energy: -131.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1696.872961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.872961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.872961 (E_RNA) where: Base-Base interactions energy: -1150.168 where: short stacking energy: -513.415 Base-Backbone interact. energy: -0.632 local terms energy: -546.073293 where: bonds (distance) C4'-P energy: -94.457 bonds (distance) P-C4' energy: -105.622 flat angles C4'-P-C4' energy: -137.340 flat angles P-C4'-P energy: -81.937 tors. eta vs tors. theta energy: -126.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1547.454405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.454405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.454405 (E_RNA) where: Base-Base interactions energy: -1043.013 where: short stacking energy: -459.129 Base-Backbone interact. energy: -2.412 local terms energy: -502.028772 where: bonds (distance) C4'-P energy: -123.369 bonds (distance) P-C4' energy: -106.943 flat angles C4'-P-C4' energy: -111.345 flat angles P-C4'-P energy: -71.440 tors. eta vs tors. theta energy: -88.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1327.903091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.903091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.903091 (E_RNA) where: Base-Base interactions energy: -865.697 where: short stacking energy: -353.278 Base-Backbone interact. energy: -1.753 local terms energy: -460.452770 where: bonds (distance) C4'-P energy: -98.203 bonds (distance) P-C4' energy: -102.474 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -80.963 tors. eta vs tors. theta energy: -72.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1167.796024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.796024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.796024 (E_RNA) where: Base-Base interactions energy: -732.153 where: short stacking energy: -340.158 Base-Backbone interact. energy: -1.618 local terms energy: -434.024842 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -111.512 flat angles C4'-P-C4' energy: -109.042 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -45.948 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: 4 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2510.283393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.283393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.283393 (E_RNA) where: Base-Base interactions energy: -1756.855 where: short stacking energy: -726.175 Base-Backbone interact. energy: -8.526 local terms energy: -744.902689 where: bonds (distance) C4'-P energy: -138.439 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -161.703 flat angles P-C4'-P energy: -113.623 tors. eta vs tors. theta energy: -204.000 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: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2438.024244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.024244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.024244 (E_RNA) where: Base-Base interactions energy: -1706.416 where: short stacking energy: -771.656 Base-Backbone interact. energy: 0.972 local terms energy: -732.580406 where: bonds (distance) C4'-P energy: -115.025 bonds (distance) P-C4' energy: -138.012 flat angles C4'-P-C4' energy: -160.344 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -220.522 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: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2204.476270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.476270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.476270 (E_RNA) where: Base-Base interactions energy: -1512.608 where: short stacking energy: -653.630 Base-Backbone interact. energy: -2.152 local terms energy: -689.717025 where: bonds (distance) C4'-P energy: -140.093 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -156.284 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -167.100 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: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2093.695935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.695935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.695935 (E_RNA) where: Base-Base interactions energy: -1461.105 where: short stacking energy: -589.764 Base-Backbone interact. energy: -0.427 local terms energy: -632.164556 where: bonds (distance) C4'-P energy: -132.722 bonds (distance) P-C4' energy: -137.520 flat angles C4'-P-C4' energy: -124.285 flat angles P-C4'-P energy: -97.011 tors. eta vs tors. theta energy: -140.626 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: 158 Temperature: 1.100000 Total energy: -2034.439384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.439384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.439384 (E_RNA) where: Base-Base interactions energy: -1411.817 where: short stacking energy: -601.533 Base-Backbone interact. energy: -3.269 local terms energy: -619.353767 where: bonds (distance) C4'-P energy: -132.537 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -92.659 tors. eta vs tors. theta energy: -159.059 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1952.056365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.056365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.056365 (E_RNA) where: Base-Base interactions energy: -1354.331 where: short stacking energy: -609.934 Base-Backbone interact. energy: 2.042 local terms energy: -599.767328 where: bonds (distance) C4'-P energy: -116.249 bonds (distance) P-C4' energy: -137.221 flat angles C4'-P-C4' energy: -125.814 flat angles P-C4'-P energy: -74.568 tors. eta vs tors. theta energy: -145.915 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: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1646.827395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.827395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.827395 (E_RNA) where: Base-Base interactions energy: -1081.195 where: short stacking energy: -481.171 Base-Backbone interact. energy: -2.444 local terms energy: -563.188403 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -127.315 flat angles P-C4'-P energy: -76.870 tors. eta vs tors. theta energy: -120.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1660.951619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.951619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.951619 (E_RNA) where: Base-Base interactions energy: -1158.276 where: short stacking energy: -482.473 Base-Backbone interact. energy: 0.261 local terms energy: -502.936675 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -105.256 flat angles C4'-P-C4' energy: -123.962 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -97.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1422.633966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.633966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.633966 (E_RNA) where: Base-Base interactions energy: -911.439 where: short stacking energy: -396.682 Base-Backbone interact. energy: -3.323 local terms energy: -507.872279 where: bonds (distance) C4'-P energy: -106.634 bonds (distance) P-C4' energy: -118.595 flat angles C4'-P-C4' energy: -120.379 flat angles P-C4'-P energy: -70.520 tors. eta vs tors. theta energy: -91.744 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: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1137.704100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.704100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.704100 (E_RNA) where: Base-Base interactions energy: -699.043 where: short stacking energy: -337.093 Base-Backbone interact. energy: -2.255 local terms energy: -436.406354 where: bonds (distance) C4'-P energy: -105.276 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -88.518 flat angles P-C4'-P energy: -71.955 tors. eta vs tors. theta energy: -50.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2515.319987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.319987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.319987 (E_RNA) where: Base-Base interactions energy: -1784.117 where: short stacking energy: -717.856 Base-Backbone interact. energy: -3.501 local terms energy: -727.702416 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -136.580 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -116.074 tors. eta vs tors. theta energy: -192.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2406.300444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.300444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.300444 (E_RNA) where: Base-Base interactions energy: -1657.470 where: short stacking energy: -746.731 Base-Backbone interact. energy: -0.854 local terms energy: -747.976387 where: bonds (distance) C4'-P energy: -120.583 bonds (distance) P-C4' energy: -137.804 flat angles C4'-P-C4' energy: -166.646 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -219.818 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: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2237.757203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.757203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.757203 (E_RNA) where: Base-Base interactions energy: -1572.562 where: short stacking energy: -676.412 Base-Backbone interact. energy: -0.133 local terms energy: -665.062059 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -127.956 flat angles C4'-P-C4' energy: -146.278 flat angles P-C4'-P energy: -89.693 tors. eta vs tors. theta energy: -181.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2083.783121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.783121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.783121 (E_RNA) where: Base-Base interactions energy: -1448.143 where: short stacking energy: -637.018 Base-Backbone interact. energy: 2.321 local terms energy: -637.961001 where: bonds (distance) C4'-P energy: -105.378 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -138.777 flat angles P-C4'-P energy: -102.525 tors. eta vs tors. theta energy: -174.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1997.239539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.239539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.239539 (E_RNA) where: Base-Base interactions energy: -1363.302 where: short stacking energy: -573.671 Base-Backbone interact. energy: -1.965 local terms energy: -631.972169 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -128.868 flat angles C4'-P-C4' energy: -148.796 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -151.226 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: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1913.069157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.069157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.069157 (E_RNA) where: Base-Base interactions energy: -1319.958 where: short stacking energy: -592.614 Base-Backbone interact. energy: -0.715 local terms energy: -592.396062 where: bonds (distance) C4'-P energy: -110.770 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -128.348 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -136.533 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: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1638.883136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.883136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.883136 (E_RNA) where: Base-Base interactions energy: -1113.470 where: short stacking energy: -533.095 Base-Backbone interact. energy: 0.276 local terms energy: -525.688815 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -108.437 flat angles C4'-P-C4' energy: -117.671 flat angles P-C4'-P energy: -84.613 tors. eta vs tors. theta energy: -105.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1654.221988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.221988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.221988 (E_RNA) where: Base-Base interactions energy: -1136.014 where: short stacking energy: -478.768 Base-Backbone interact. energy: -1.601 local terms energy: -516.606999 where: bonds (distance) C4'-P energy: -104.948 bonds (distance) P-C4' energy: -99.373 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -76.447 tors. eta vs tors. theta energy: -114.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1414.963147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.963147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.963147 (E_RNA) where: Base-Base interactions energy: -930.132 where: short stacking energy: -395.058 Base-Backbone interact. energy: 4.778 local terms energy: -489.608222 where: bonds (distance) C4'-P energy: -99.772 bonds (distance) P-C4' energy: -118.689 flat angles C4'-P-C4' energy: -117.111 flat angles P-C4'-P energy: -83.049 tors. eta vs tors. theta energy: -70.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1141.715212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.715212 (E_RNA) where: Base-Base interactions energy: -691.286 where: short stacking energy: -337.256 Base-Backbone interact. energy: 4.244 local terms energy: -454.673506 where: bonds (distance) C4'-P energy: -105.290 bonds (distance) P-C4' energy: -117.944 flat angles C4'-P-C4' energy: -115.000 flat angles P-C4'-P energy: -66.148 tors. eta vs tors. theta energy: -50.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2484.040292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.040292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.040292 (E_RNA) where: Base-Base interactions energy: -1758.470 where: short stacking energy: -735.845 Base-Backbone interact. energy: -2.976 local terms energy: -722.593678 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -156.499 flat angles P-C4'-P energy: -103.072 tors. eta vs tors. theta energy: -198.053 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: 160 Temperature: 0.950000 Total energy: -2442.738229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.738229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.738229 (E_RNA) where: Base-Base interactions energy: -1718.952 where: short stacking energy: -766.532 Base-Backbone interact. energy: 0.383 local terms energy: -724.169315 where: bonds (distance) C4'-P energy: -119.197 bonds (distance) P-C4' energy: -127.685 flat angles C4'-P-C4' energy: -157.397 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -215.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2244.040282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.040282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.040282 (E_RNA) where: Base-Base interactions energy: -1575.937 where: short stacking energy: -680.225 Base-Backbone interact. energy: -2.830 local terms energy: -665.273286 where: bonds (distance) C4'-P energy: -114.065 bonds (distance) P-C4' energy: -128.730 flat angles C4'-P-C4' energy: -147.751 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -178.636 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: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2169.175527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.175527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.175527 (E_RNA) where: Base-Base interactions energy: -1461.665 where: short stacking energy: -657.558 Base-Backbone interact. energy: -2.566 local terms energy: -704.944151 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -140.470 flat angles C4'-P-C4' energy: -148.503 flat angles P-C4'-P energy: -103.978 tors. eta vs tors. theta energy: -188.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1961.760646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.760646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.760646 (E_RNA) where: Base-Base interactions energy: -1338.265 where: short stacking energy: -517.662 Base-Backbone interact. energy: 2.973 local terms energy: -626.468896 where: bonds (distance) C4'-P energy: -122.094 bonds (distance) P-C4' energy: -133.970 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -140.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1905.100316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.100316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.100316 (E_RNA) where: Base-Base interactions energy: -1319.366 where: short stacking energy: -570.714 Base-Backbone interact. energy: 4.043 local terms energy: -589.777046 where: bonds (distance) C4'-P energy: -124.494 bonds (distance) P-C4' energy: -108.703 flat angles C4'-P-C4' energy: -133.891 flat angles P-C4'-P energy: -88.144 tors. eta vs tors. theta energy: -134.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1794.822094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.822094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.822094 (E_RNA) where: Base-Base interactions energy: -1212.420 where: short stacking energy: -538.631 Base-Backbone interact. energy: -2.741 local terms energy: -579.661811 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -123.900 flat angles C4'-P-C4' energy: -121.126 flat angles P-C4'-P energy: -87.327 tors. eta vs tors. theta energy: -123.205 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: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1603.656444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.656444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.656444 (E_RNA) where: Base-Base interactions energy: -1058.400 where: short stacking energy: -485.155 Base-Backbone interact. energy: 0.023 local terms energy: -545.279469 where: bonds (distance) C4'-P energy: -118.683 bonds (distance) P-C4' energy: -126.314 flat angles C4'-P-C4' energy: -126.410 flat angles P-C4'-P energy: -71.101 tors. eta vs tors. theta energy: -102.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1426.198601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.198601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.198601 (E_RNA) where: Base-Base interactions energy: -950.265 where: short stacking energy: -397.875 Base-Backbone interact. energy: -0.821 local terms energy: -475.112827 where: bonds (distance) C4'-P energy: -104.044 bonds (distance) P-C4' energy: -118.957 flat angles C4'-P-C4' energy: -96.984 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -78.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1113.480430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.480430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.480430 (E_RNA) where: Base-Base interactions energy: -714.401 where: short stacking energy: -309.411 Base-Backbone interact. energy: 3.000 local terms energy: -402.079584 where: bonds (distance) C4'-P energy: -93.483 bonds (distance) P-C4' energy: -120.038 flat angles C4'-P-C4' energy: -99.597 flat angles P-C4'-P energy: -58.972 tors. eta vs tors. theta energy: -29.989 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: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2484.097942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.097942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.097942 (E_RNA) where: Base-Base interactions energy: -1750.070 where: short stacking energy: -734.985 Base-Backbone interact. energy: -0.975 local terms energy: -733.053063 where: bonds (distance) C4'-P energy: -132.868 bonds (distance) P-C4' energy: -146.128 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -102.909 tors. eta vs tors. theta energy: -194.541 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2427.289811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.289811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.289811 (E_RNA) where: Base-Base interactions energy: -1700.410 where: short stacking energy: -755.155 Base-Backbone interact. energy: 1.071 local terms energy: -727.950713 where: bonds (distance) C4'-P energy: -109.593 bonds (distance) P-C4' energy: -131.747 flat angles C4'-P-C4' energy: -157.237 flat angles P-C4'-P energy: -102.092 tors. eta vs tors. theta energy: -227.283 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: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2212.829297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.829297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.829297 (E_RNA) where: Base-Base interactions energy: -1510.849 where: short stacking energy: -641.719 Base-Backbone interact. energy: -0.522 local terms energy: -701.458323 where: bonds (distance) C4'-P energy: -141.211 bonds (distance) P-C4' energy: -131.789 flat angles C4'-P-C4' energy: -148.958 flat angles P-C4'-P energy: -103.697 tors. eta vs tors. theta energy: -175.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2172.422034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.422034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.422034 (E_RNA) where: Base-Base interactions energy: -1492.945 where: short stacking energy: -660.580 Base-Backbone interact. energy: -0.627 local terms energy: -678.850506 where: bonds (distance) C4'-P energy: -134.698 bonds (distance) P-C4' energy: -124.575 flat angles C4'-P-C4' energy: -148.062 flat angles P-C4'-P energy: -92.053 tors. eta vs tors. theta energy: -179.462 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: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1987.316249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.316249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.316249 (E_RNA) where: Base-Base interactions energy: -1419.771 where: short stacking energy: -587.928 Base-Backbone interact. energy: 4.479 local terms energy: -572.024296 where: bonds (distance) C4'-P energy: -113.913 bonds (distance) P-C4' energy: -100.708 flat angles C4'-P-C4' energy: -138.661 flat angles P-C4'-P energy: -80.141 tors. eta vs tors. theta energy: -138.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1933.418478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.418478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.418478 (E_RNA) where: Base-Base interactions energy: -1331.596 where: short stacking energy: -564.897 Base-Backbone interact. energy: -1.262 local terms energy: -600.560394 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -137.777 flat angles C4'-P-C4' energy: -121.720 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -137.003 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: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1821.743877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.743877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.743877 (E_RNA) where: Base-Base interactions energy: -1266.235 where: short stacking energy: -567.417 Base-Backbone interact. energy: 3.591 local terms energy: -559.457943 where: bonds (distance) C4'-P energy: -109.043 bonds (distance) P-C4' energy: -108.201 flat angles C4'-P-C4' energy: -121.751 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -145.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.358 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1684.755135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.755135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.755135 (E_RNA) where: Base-Base interactions energy: -1133.917 where: short stacking energy: -490.676 Base-Backbone interact. energy: 3.811 local terms energy: -554.649150 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -134.192 flat angles P-C4'-P energy: -83.269 tors. eta vs tors. theta energy: -111.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1426.027747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.027747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.027747 (E_RNA) where: Base-Base interactions energy: -929.143 where: short stacking energy: -417.311 Base-Backbone interact. energy: -1.206 local terms energy: -495.678701 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -111.620 flat angles C4'-P-C4' energy: -118.690 flat angles P-C4'-P energy: -80.634 tors. eta vs tors. theta energy: -68.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1203.783719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.783719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.783719 (E_RNA) where: Base-Base interactions energy: -757.065 where: short stacking energy: -353.325 Base-Backbone interact. energy: -1.036 local terms energy: -445.682788 where: bonds (distance) C4'-P energy: -123.044 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -43.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2473.387462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.387462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.387462 (E_RNA) where: Base-Base interactions energy: -1737.134 where: short stacking energy: -733.676 Base-Backbone interact. energy: -3.371 local terms energy: -732.882299 where: bonds (distance) C4'-P energy: -134.776 bonds (distance) P-C4' energy: -137.840 flat angles C4'-P-C4' energy: -152.665 flat angles P-C4'-P energy: -109.667 tors. eta vs tors. theta energy: -197.935 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: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2411.003015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.003015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.003015 (E_RNA) where: Base-Base interactions energy: -1663.729 where: short stacking energy: -757.613 Base-Backbone interact. energy: -4.053 local terms energy: -743.221198 where: bonds (distance) C4'-P energy: -123.693 bonds (distance) P-C4' energy: -132.679 flat angles C4'-P-C4' energy: -160.535 flat angles P-C4'-P energy: -103.881 tors. eta vs tors. theta energy: -222.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2184.473440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.473440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.473440 (E_RNA) where: Base-Base interactions energy: -1490.321 where: short stacking energy: -664.614 Base-Backbone interact. energy: -0.223 local terms energy: -693.929489 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -139.281 flat angles C4'-P-C4' energy: -143.239 flat angles P-C4'-P energy: -100.776 tors. eta vs tors. theta energy: -176.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2113.799977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.799977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.799977 (E_RNA) where: Base-Base interactions energy: -1465.952 where: short stacking energy: -651.511 Base-Backbone interact. energy: 0.936 local terms energy: -648.784129 where: bonds (distance) C4'-P energy: -120.594 bonds (distance) P-C4' energy: -122.341 flat angles C4'-P-C4' energy: -138.699 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -175.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2063.007072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.007072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.007072 (E_RNA) where: Base-Base interactions energy: -1400.449 where: short stacking energy: -634.309 Base-Backbone interact. energy: -2.199 local terms energy: -660.359014 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -129.625 flat angles C4'-P-C4' energy: -147.967 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -159.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1977.940422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.940422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.940422 (E_RNA) where: Base-Base interactions energy: -1392.639 where: short stacking energy: -585.636 Base-Backbone interact. energy: -2.616 local terms energy: -582.685399 where: bonds (distance) C4'-P energy: -101.642 bonds (distance) P-C4' energy: -110.175 flat angles C4'-P-C4' energy: -150.036 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -141.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1856.909391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.909391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.909391 (E_RNA) where: Base-Base interactions energy: -1271.887 where: short stacking energy: -563.539 Base-Backbone interact. energy: -2.989 local terms energy: -582.523067 where: bonds (distance) C4'-P energy: -113.647 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -123.905 flat angles P-C4'-P energy: -81.315 tors. eta vs tors. theta energy: -139.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.490 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1584.563092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.563092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.563092 (E_RNA) where: Base-Base interactions energy: -1067.472 where: short stacking energy: -494.654 Base-Backbone interact. energy: 1.993 local terms energy: -519.084643 where: bonds (distance) C4'-P energy: -94.192 bonds (distance) P-C4' energy: -129.210 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -70.687 tors. eta vs tors. theta energy: -103.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1372.519000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.519000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.519000 (E_RNA) where: Base-Base interactions energy: -930.848 where: short stacking energy: -413.929 Base-Backbone interact. energy: 2.668 local terms energy: -444.339779 where: bonds (distance) C4'-P energy: -107.918 bonds (distance) P-C4' energy: -104.064 flat angles C4'-P-C4' energy: -105.252 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -71.875 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: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1185.427601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.427601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.427601 (E_RNA) where: Base-Base interactions energy: -788.485 where: short stacking energy: -346.961 Base-Backbone interact. energy: 4.696 local terms energy: -401.638894 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -105.494 flat angles C4'-P-C4' energy: -98.631 flat angles P-C4'-P energy: -55.617 tors. eta vs tors. theta energy: -45.579 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: 163 Temperature: 0.900000 Total energy: -2466.111834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.111834 (E_RNA) where: Base-Base interactions energy: -1735.362 where: short stacking energy: -722.638 Base-Backbone interact. energy: -2.036 local terms energy: -728.713078 where: bonds (distance) C4'-P energy: -128.819 bonds (distance) P-C4' energy: -138.571 flat angles C4'-P-C4' energy: -156.428 flat angles P-C4'-P energy: -115.870 tors. eta vs tors. theta energy: -189.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2450.045337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.045337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.045337 (E_RNA) where: Base-Base interactions energy: -1696.159 where: short stacking energy: -761.191 Base-Backbone interact. energy: -3.548 local terms energy: -750.337759 where: bonds (distance) C4'-P energy: -130.916 bonds (distance) P-C4' energy: -136.850 flat angles C4'-P-C4' energy: -149.448 flat angles P-C4'-P energy: -104.570 tors. eta vs tors. theta energy: -228.553 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: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2193.468124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.468124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.468124 (E_RNA) where: Base-Base interactions energy: -1535.108 where: short stacking energy: -655.786 Base-Backbone interact. energy: 1.744 local terms energy: -660.104018 where: bonds (distance) C4'-P energy: -119.019 bonds (distance) P-C4' energy: -133.895 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -91.847 tors. eta vs tors. theta energy: -176.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2098.469669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.469669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.469669 (E_RNA) where: Base-Base interactions energy: -1437.652 where: short stacking energy: -631.984 Base-Backbone interact. energy: -0.619 local terms energy: -660.198371 where: bonds (distance) C4'-P energy: -131.255 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -139.277 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -158.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1996.590911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.590911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.590911 (E_RNA) where: Base-Base interactions energy: -1364.511 where: short stacking energy: -606.007 Base-Backbone interact. energy: -0.156 local terms energy: -631.923395 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -140.992 flat angles P-C4'-P energy: -79.230 tors. eta vs tors. theta energy: -154.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1905.501206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.501206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.501206 (E_RNA) where: Base-Base interactions energy: -1321.074 where: short stacking energy: -543.898 Base-Backbone interact. energy: -4.739 local terms energy: -579.688429 where: bonds (distance) C4'-P energy: -109.019 bonds (distance) P-C4' energy: -113.576 flat angles C4'-P-C4' energy: -139.301 flat angles P-C4'-P energy: -84.142 tors. eta vs tors. theta energy: -133.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1883.002140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.002140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.002140 (E_RNA) where: Base-Base interactions energy: -1276.433 where: short stacking energy: -583.708 Base-Backbone interact. energy: -3.488 local terms energy: -603.080995 where: bonds (distance) C4'-P energy: -110.647 bonds (distance) P-C4' energy: -128.121 flat angles C4'-P-C4' energy: -130.535 flat angles P-C4'-P energy: -92.353 tors. eta vs tors. theta energy: -141.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1549.891747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.891747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.891747 (E_RNA) where: Base-Base interactions energy: -1007.876 where: short stacking energy: -447.275 Base-Backbone interact. energy: -2.045 local terms energy: -539.971100 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -114.781 flat angles C4'-P-C4' energy: -118.895 flat angles P-C4'-P energy: -78.758 tors. eta vs tors. theta energy: -97.721 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: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1387.590658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.590658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.590658 (E_RNA) where: Base-Base interactions energy: -941.037 where: short stacking energy: -430.374 Base-Backbone interact. energy: 2.050 local terms energy: -448.603461 where: bonds (distance) C4'-P energy: -100.294 bonds (distance) P-C4' energy: -93.668 flat angles C4'-P-C4' energy: -109.396 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -80.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1221.608361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.608361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.608361 (E_RNA) where: Base-Base interactions energy: -771.446 where: short stacking energy: -347.781 Base-Backbone interact. energy: -4.332 local terms energy: -445.831009 where: bonds (distance) C4'-P energy: -104.199 bonds (distance) P-C4' energy: -116.833 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -44.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2477.025145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.025145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.025145 (E_RNA) where: Base-Base interactions energy: -1719.044 where: short stacking energy: -756.958 Base-Backbone interact. energy: -1.234 local terms energy: -756.746953 where: bonds (distance) C4'-P energy: -142.555 bonds (distance) P-C4' energy: -128.776 flat angles C4'-P-C4' energy: -162.257 flat angles P-C4'-P energy: -108.790 tors. eta vs tors. theta energy: -214.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2432.697301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.697301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.697301 (E_RNA) where: Base-Base interactions energy: -1717.298 where: short stacking energy: -726.021 Base-Backbone interact. energy: -2.215 local terms energy: -713.184569 where: bonds (distance) C4'-P energy: -129.879 bonds (distance) P-C4' energy: -131.364 flat angles C4'-P-C4' energy: -154.957 flat angles P-C4'-P energy: -104.219 tors. eta vs tors. theta energy: -192.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2214.483890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.483890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.483890 (E_RNA) where: Base-Base interactions energy: -1537.577 where: short stacking energy: -660.276 Base-Backbone interact. energy: -1.800 local terms energy: -675.106398 where: bonds (distance) C4'-P energy: -120.932 bonds (distance) P-C4' energy: -129.998 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -98.503 tors. eta vs tors. theta energy: -173.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2091.711744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.711744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.711744 (E_RNA) where: Base-Base interactions energy: -1428.544 where: short stacking energy: -619.780 Base-Backbone interact. energy: 0.058 local terms energy: -663.225096 where: bonds (distance) C4'-P energy: -139.642 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -138.404 flat angles P-C4'-P energy: -89.236 tors. eta vs tors. theta energy: -166.954 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: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1990.593441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.593441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.593441 (E_RNA) where: Base-Base interactions energy: -1348.048 where: short stacking energy: -618.637 Base-Backbone interact. energy: -0.758 local terms energy: -641.787516 where: bonds (distance) C4'-P energy: -128.219 bonds (distance) P-C4' energy: -134.769 flat angles C4'-P-C4' energy: -133.564 flat angles P-C4'-P energy: -80.713 tors. eta vs tors. theta energy: -164.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1913.123640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.123640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.123640 (E_RNA) where: Base-Base interactions energy: -1371.349 where: short stacking energy: -559.547 Base-Backbone interact. energy: 2.079 local terms energy: -543.854123 where: bonds (distance) C4'-P energy: -95.403 bonds (distance) P-C4' energy: -106.261 flat angles C4'-P-C4' energy: -124.220 flat angles P-C4'-P energy: -82.034 tors. eta vs tors. theta energy: -135.938 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: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1869.699935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.699935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.699935 (E_RNA) where: Base-Base interactions energy: -1291.822 where: short stacking energy: -532.936 Base-Backbone interact. energy: -0.347 local terms energy: -577.531625 where: bonds (distance) C4'-P energy: -100.096 bonds (distance) P-C4' energy: -120.802 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -131.622 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: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1524.434641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.434641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.434641 (E_RNA) where: Base-Base interactions energy: -1012.512 where: short stacking energy: -458.407 Base-Backbone interact. energy: -2.101 local terms energy: -509.821583 where: bonds (distance) C4'-P energy: -102.016 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -131.115 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -96.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1422.520748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.520748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.520748 (E_RNA) where: Base-Base interactions energy: -954.187 where: short stacking energy: -415.178 Base-Backbone interact. energy: -1.054 local terms energy: -467.279731 where: bonds (distance) C4'-P energy: -111.395 bonds (distance) P-C4' energy: -111.368 flat angles C4'-P-C4' energy: -111.683 flat angles P-C4'-P energy: -50.273 tors. eta vs tors. theta energy: -82.562 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: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1154.243921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.243921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.243921 (E_RNA) where: Base-Base interactions energy: -735.688 where: short stacking energy: -316.070 Base-Backbone interact. energy: -1.273 local terms energy: -417.282427 where: bonds (distance) C4'-P energy: -126.233 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -102.969 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -30.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2485.714619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.714619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.714619 (E_RNA) where: Base-Base interactions energy: -1743.066 where: short stacking energy: -767.531 Base-Backbone interact. energy: -0.810 local terms energy: -741.837846 where: bonds (distance) C4'-P energy: -124.149 bonds (distance) P-C4' energy: -150.451 flat angles C4'-P-C4' energy: -161.101 flat angles P-C4'-P energy: -100.553 tors. eta vs tors. theta energy: -205.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2438.686021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.686021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.686021 (E_RNA) where: Base-Base interactions energy: -1704.298 where: short stacking energy: -718.009 Base-Backbone interact. energy: -4.836 local terms energy: -729.552170 where: bonds (distance) C4'-P energy: -139.988 bonds (distance) P-C4' energy: -141.601 flat angles C4'-P-C4' energy: -164.347 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -189.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2174.746635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.746635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.746635 (E_RNA) where: Base-Base interactions energy: -1504.953 where: short stacking energy: -643.967 Base-Backbone interact. energy: 0.846 local terms energy: -670.639267 where: bonds (distance) C4'-P energy: -134.664 bonds (distance) P-C4' energy: -128.560 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -96.590 tors. eta vs tors. theta energy: -164.663 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: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2109.980606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.980606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.980606 (E_RNA) where: Base-Base interactions energy: -1443.740 where: short stacking energy: -622.440 Base-Backbone interact. energy: -0.621 local terms energy: -665.620214 where: bonds (distance) C4'-P energy: -112.638 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -155.688 flat angles P-C4'-P energy: -111.523 tors. eta vs tors. theta energy: -161.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2049.399764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.399764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.399764 (E_RNA) where: Base-Base interactions energy: -1395.733 where: short stacking energy: -625.681 Base-Backbone interact. energy: -1.210 local terms energy: -652.456580 where: bonds (distance) C4'-P energy: -116.812 bonds (distance) P-C4' energy: -128.354 flat angles C4'-P-C4' energy: -139.735 flat angles P-C4'-P energy: -99.041 tors. eta vs tors. theta energy: -168.515 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1869.079577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.079577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.079577 (E_RNA) where: Base-Base interactions energy: -1271.790 where: short stacking energy: -548.050 Base-Backbone interact. energy: 0.230 local terms energy: -597.520013 where: bonds (distance) C4'-P energy: -108.039 bonds (distance) P-C4' energy: -116.388 flat angles C4'-P-C4' energy: -141.994 flat angles P-C4'-P energy: -89.867 tors. eta vs tors. theta energy: -141.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1857.089159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.089159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.089159 (E_RNA) where: Base-Base interactions energy: -1289.154 where: short stacking energy: -549.106 Base-Backbone interact. energy: -0.523 local terms energy: -567.412557 where: bonds (distance) C4'-P energy: -103.243 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -126.664 flat angles P-C4'-P energy: -82.752 tors. eta vs tors. theta energy: -141.598 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: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1422.524806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.524806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.524806 (E_RNA) where: Base-Base interactions energy: -930.253 where: short stacking energy: -435.261 Base-Backbone interact. energy: -0.714 local terms energy: -491.557880 where: bonds (distance) C4'-P energy: -109.517 bonds (distance) P-C4' energy: -104.601 flat angles C4'-P-C4' energy: -127.670 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -76.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1469.777585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.777585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.777585 (E_RNA) where: Base-Base interactions energy: -989.518 where: short stacking energy: -417.312 Base-Backbone interact. energy: 2.337 local terms energy: -482.595808 where: bonds (distance) C4'-P energy: -98.158 bonds (distance) P-C4' energy: -118.187 flat angles C4'-P-C4' energy: -108.150 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -76.797 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: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1233.529767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.529767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.529767 (E_RNA) where: Base-Base interactions energy: -809.384 where: short stacking energy: -375.916 Base-Backbone interact. energy: -1.781 local terms energy: -422.365606 where: bonds (distance) C4'-P energy: -95.299 bonds (distance) P-C4' energy: -114.529 flat angles C4'-P-C4' energy: -101.219 flat angles P-C4'-P energy: -64.809 tors. eta vs tors. theta energy: -46.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2477.209414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.209414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.209414 (E_RNA) where: Base-Base interactions energy: -1739.632 where: short stacking energy: -752.149 Base-Backbone interact. energy: -2.704 local terms energy: -734.873899 where: bonds (distance) C4'-P energy: -133.582 bonds (distance) P-C4' energy: -140.681 flat angles C4'-P-C4' energy: -157.488 flat angles P-C4'-P energy: -99.699 tors. eta vs tors. theta energy: -203.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2422.270692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.270692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.270692 (E_RNA) where: Base-Base interactions energy: -1702.756 where: short stacking energy: -741.609 Base-Backbone interact. energy: -2.764 local terms energy: -716.751155 where: bonds (distance) C4'-P energy: -114.571 bonds (distance) P-C4' energy: -130.001 flat angles C4'-P-C4' energy: -154.893 flat angles P-C4'-P energy: -104.760 tors. eta vs tors. theta energy: -212.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2212.259004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.259004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.259004 (E_RNA) where: Base-Base interactions energy: -1561.225 where: short stacking energy: -673.981 Base-Backbone interact. energy: 3.836 local terms energy: -654.870168 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -120.920 flat angles C4'-P-C4' energy: -130.919 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -187.171 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: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2096.666376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.666376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.666376 (E_RNA) where: Base-Base interactions energy: -1445.880 where: short stacking energy: -638.952 Base-Backbone interact. energy: -0.401 local terms energy: -650.385493 where: bonds (distance) C4'-P energy: -122.382 bonds (distance) P-C4' energy: -138.081 flat angles C4'-P-C4' energy: -130.510 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -165.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2117.714914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.714914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.714914 (E_RNA) where: Base-Base interactions energy: -1475.333 where: short stacking energy: -633.242 Base-Backbone interact. energy: -1.345 local terms energy: -641.037616 where: bonds (distance) C4'-P energy: -134.503 bonds (distance) P-C4' energy: -104.637 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -170.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1877.407551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.407551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.407551 (E_RNA) where: Base-Base interactions energy: -1336.712 where: short stacking energy: -522.485 Base-Backbone interact. energy: -2.218 local terms energy: -538.477531 where: bonds (distance) C4'-P energy: -110.045 bonds (distance) P-C4' energy: -108.333 flat angles C4'-P-C4' energy: -120.828 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -121.843 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: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1898.260982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.260982 (E_RNA) where: Base-Base interactions energy: -1294.642 where: short stacking energy: -552.163 Base-Backbone interact. energy: 2.636 local terms energy: -606.254364 where: bonds (distance) C4'-P energy: -116.303 bonds (distance) P-C4' energy: -127.863 flat angles C4'-P-C4' energy: -140.377 flat angles P-C4'-P energy: -81.159 tors. eta vs tors. theta energy: -140.552 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: 166 Temperature: 1.250000 Total energy: -1442.206276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.206276 (E_RNA) where: Base-Base interactions energy: -962.072 where: short stacking energy: -422.775 Base-Backbone interact. energy: -2.693 local terms energy: -477.441542 where: bonds (distance) C4'-P energy: -84.743 bonds (distance) P-C4' energy: -106.429 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -77.024 tors. eta vs tors. theta energy: -86.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1444.324829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.324829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.324829 (E_RNA) where: Base-Base interactions energy: -942.517 where: short stacking energy: -403.663 Base-Backbone interact. energy: 0.714 local terms energy: -502.521017 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -126.717 flat angles C4'-P-C4' energy: -122.282 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -71.382 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: 166 Temperature: 1.350000 Total energy: -1211.856789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.856789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.856789 (E_RNA) where: Base-Base interactions energy: -795.120 where: short stacking energy: -356.272 Base-Backbone interact. energy: 6.428 local terms energy: -423.165389 where: bonds (distance) C4'-P energy: -108.331 bonds (distance) P-C4' energy: -103.233 flat angles C4'-P-C4' energy: -87.233 flat angles P-C4'-P energy: -64.251 tors. eta vs tors. theta energy: -60.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2482.323302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.323302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.323302 (E_RNA) where: Base-Base interactions energy: -1743.852 where: short stacking energy: -738.294 Base-Backbone interact. energy: 2.757 local terms energy: -741.228103 where: bonds (distance) C4'-P energy: -151.128 bonds (distance) P-C4' energy: -129.694 flat angles C4'-P-C4' energy: -155.966 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -201.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2404.489377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.489377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.489377 (E_RNA) where: Base-Base interactions energy: -1674.321 where: short stacking energy: -755.174 Base-Backbone interact. energy: -0.266 local terms energy: -729.902074 where: bonds (distance) C4'-P energy: -135.129 bonds (distance) P-C4' energy: -124.288 flat angles C4'-P-C4' energy: -155.345 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -211.753 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: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2213.264049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.264049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.264049 (E_RNA) where: Base-Base interactions energy: -1545.132 where: short stacking energy: -679.353 Base-Backbone interact. energy: -3.116 local terms energy: -665.015911 where: bonds (distance) C4'-P energy: -120.632 bonds (distance) P-C4' energy: -123.308 flat angles C4'-P-C4' energy: -148.848 flat angles P-C4'-P energy: -94.172 tors. eta vs tors. theta energy: -178.056 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: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2116.480279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.480279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.480279 (E_RNA) where: Base-Base interactions energy: -1450.737 where: short stacking energy: -637.241 Base-Backbone interact. energy: -2.357 local terms energy: -663.385933 where: bonds (distance) C4'-P energy: -121.443 bonds (distance) P-C4' energy: -130.715 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -166.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2046.810727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.810727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.810727 (E_RNA) where: Base-Base interactions energy: -1420.983 where: short stacking energy: -625.857 Base-Backbone interact. energy: 1.200 local terms energy: -627.027432 where: bonds (distance) C4'-P energy: -133.980 bonds (distance) P-C4' energy: -122.336 flat angles C4'-P-C4' energy: -126.153 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -173.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1907.195827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.195827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.195827 (E_RNA) where: Base-Base interactions energy: -1334.394 where: short stacking energy: -566.760 Base-Backbone interact. energy: 0.746 local terms energy: -573.548225 where: bonds (distance) C4'-P energy: -116.941 bonds (distance) P-C4' energy: -96.679 flat angles C4'-P-C4' energy: -134.572 flat angles P-C4'-P energy: -82.421 tors. eta vs tors. theta energy: -142.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1828.474878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.474878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.474878 (E_RNA) where: Base-Base interactions energy: -1234.640 where: short stacking energy: -533.627 Base-Backbone interact. energy: -2.992 local terms energy: -590.842893 where: bonds (distance) C4'-P energy: -118.043 bonds (distance) P-C4' energy: -110.916 flat angles C4'-P-C4' energy: -136.309 flat angles P-C4'-P energy: -95.386 tors. eta vs tors. theta energy: -130.189 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: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1506.365373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.365373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.365373 (E_RNA) where: Base-Base interactions energy: -1008.755 where: short stacking energy: -426.554 Base-Backbone interact. energy: 0.381 local terms energy: -497.991733 where: bonds (distance) C4'-P energy: -106.287 bonds (distance) P-C4' energy: -108.999 flat angles C4'-P-C4' energy: -116.001 flat angles P-C4'-P energy: -81.318 tors. eta vs tors. theta energy: -85.387 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: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1459.881946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.881946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.881946 (E_RNA) where: Base-Base interactions energy: -999.357 where: short stacking energy: -444.184 Base-Backbone interact. energy: -0.462 local terms energy: -463.429795 where: bonds (distance) C4'-P energy: -88.260 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -107.207 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -79.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.367 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1174.439474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.439474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.439474 (E_RNA) where: Base-Base interactions energy: -742.778 where: short stacking energy: -310.049 Base-Backbone interact. energy: -1.704 local terms energy: -429.958300 where: bonds (distance) C4'-P energy: -107.974 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -104.778 flat angles P-C4'-P energy: -58.697 tors. eta vs tors. theta energy: -33.301 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: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2504.879379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.879379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.879379 (E_RNA) where: Base-Base interactions energy: -1764.688 where: short stacking energy: -734.858 Base-Backbone interact. energy: -1.481 local terms energy: -738.710637 where: bonds (distance) C4'-P energy: -138.011 bonds (distance) P-C4' energy: -137.391 flat angles C4'-P-C4' energy: -160.532 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -198.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2401.195536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.195536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.195536 (E_RNA) where: Base-Base interactions energy: -1679.957 where: short stacking energy: -749.000 Base-Backbone interact. energy: -2.379 local terms energy: -718.859067 where: bonds (distance) C4'-P energy: -131.242 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -158.023 flat angles P-C4'-P energy: -109.032 tors. eta vs tors. theta energy: -208.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2236.235903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.235903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.235903 (E_RNA) where: Base-Base interactions energy: -1545.082 where: short stacking energy: -684.227 Base-Backbone interact. energy: -0.731 local terms energy: -690.423326 where: bonds (distance) C4'-P energy: -134.621 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -150.338 flat angles P-C4'-P energy: -97.634 tors. eta vs tors. theta energy: -180.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2122.126924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.126924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.126924 (E_RNA) where: Base-Base interactions energy: -1436.757 where: short stacking energy: -661.304 Base-Backbone interact. energy: -0.892 local terms energy: -684.478216 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -141.361 flat angles C4'-P-C4' energy: -150.847 flat angles P-C4'-P energy: -93.927 tors. eta vs tors. theta energy: -164.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2076.123115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.123115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.123115 (E_RNA) where: Base-Base interactions energy: -1447.514 where: short stacking energy: -632.859 Base-Backbone interact. energy: -2.439 local terms energy: -626.170613 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -131.634 flat angles C4'-P-C4' energy: -131.823 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -163.898 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: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1887.416337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.416337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.416337 (E_RNA) where: Base-Base interactions energy: -1294.152 where: short stacking energy: -539.661 Base-Backbone interact. energy: 0.848 local terms energy: -594.112934 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -114.261 flat angles C4'-P-C4' energy: -127.361 flat angles P-C4'-P energy: -75.465 tors. eta vs tors. theta energy: -145.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1895.672396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.672396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.672396 (E_RNA) where: Base-Base interactions energy: -1281.769 where: short stacking energy: -572.904 Base-Backbone interact. energy: -1.254 local terms energy: -612.649303 where: bonds (distance) C4'-P energy: -125.641 bonds (distance) P-C4' energy: -108.668 flat angles C4'-P-C4' energy: -143.893 flat angles P-C4'-P energy: -90.104 tors. eta vs tors. theta energy: -144.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1563.691019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.691019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.691019 (E_RNA) where: Base-Base interactions energy: -1050.537 where: short stacking energy: -458.257 Base-Backbone interact. energy: -2.425 local terms energy: -510.728745 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -132.375 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -98.598 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: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1495.954670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.954670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.954670 (E_RNA) where: Base-Base interactions energy: -977.168 where: short stacking energy: -423.339 Base-Backbone interact. energy: -1.686 local terms energy: -517.100377 where: bonds (distance) C4'-P energy: -115.960 bonds (distance) P-C4' energy: -128.755 flat angles C4'-P-C4' energy: -118.933 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -83.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1099.284611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.284611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.284611 (E_RNA) where: Base-Base interactions energy: -720.600 where: short stacking energy: -328.795 Base-Backbone interact. energy: -5.367 local terms energy: -373.317522 where: bonds (distance) C4'-P energy: -102.404 bonds (distance) P-C4' energy: -106.463 flat angles C4'-P-C4' energy: -74.492 flat angles P-C4'-P energy: -53.651 tors. eta vs tors. theta energy: -36.308 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: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2504.269787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.269787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.269787 (E_RNA) where: Base-Base interactions energy: -1767.238 where: short stacking energy: -723.153 Base-Backbone interact. energy: 4.619 local terms energy: -741.650903 where: bonds (distance) C4'-P energy: -128.620 bonds (distance) P-C4' energy: -140.876 flat angles C4'-P-C4' energy: -159.281 flat angles P-C4'-P energy: -115.743 tors. eta vs tors. theta energy: -197.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2397.811695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.811695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.811695 (E_RNA) where: Base-Base interactions energy: -1669.378 where: short stacking energy: -736.660 Base-Backbone interact. energy: -0.210 local terms energy: -728.223741 where: bonds (distance) C4'-P energy: -127.616 bonds (distance) P-C4' energy: -126.138 flat angles C4'-P-C4' energy: -158.519 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -207.425 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: 169 Temperature: 1.000000 Total energy: -2244.028832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.028832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.028832 (E_RNA) where: Base-Base interactions energy: -1549.078 where: short stacking energy: -671.454 Base-Backbone interact. energy: 0.586 local terms energy: -695.536160 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -150.537 flat angles C4'-P-C4' energy: -144.301 flat angles P-C4'-P energy: -105.536 tors. eta vs tors. theta energy: -179.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2149.129090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.129090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.129090 (E_RNA) where: Base-Base interactions energy: -1463.407 where: short stacking energy: -662.686 Base-Backbone interact. energy: -1.729 local terms energy: -683.993519 where: bonds (distance) C4'-P energy: -132.917 bonds (distance) P-C4' energy: -141.594 flat angles C4'-P-C4' energy: -129.031 flat angles P-C4'-P energy: -106.839 tors. eta vs tors. theta energy: -173.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2064.314946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.314946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.314946 (E_RNA) where: Base-Base interactions energy: -1422.862 where: short stacking energy: -649.393 Base-Backbone interact. energy: 1.051 local terms energy: -642.503935 where: bonds (distance) C4'-P energy: -107.839 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -142.115 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -158.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1911.244940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.244940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.244940 (E_RNA) where: Base-Base interactions energy: -1322.992 where: short stacking energy: -558.088 Base-Backbone interact. energy: 0.559 local terms energy: -588.812201 where: bonds (distance) C4'-P energy: -105.972 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -131.778 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -146.393 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: 169 Temperature: 1.200000 Total energy: -1863.779898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.779898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.779898 (E_RNA) where: Base-Base interactions energy: -1266.669 where: short stacking energy: -598.143 Base-Backbone interact. energy: 1.550 local terms energy: -598.660733 where: bonds (distance) C4'-P energy: -100.219 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -130.372 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: -182.439 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: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1529.063620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.063620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.063620 (E_RNA) where: Base-Base interactions energy: -1048.025 where: short stacking energy: -474.915 Base-Backbone interact. energy: -2.759 local terms energy: -478.279570 where: bonds (distance) C4'-P energy: -119.993 bonds (distance) P-C4' energy: -108.354 flat angles C4'-P-C4' energy: -95.699 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -91.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1496.981366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.981366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.981366 (E_RNA) where: Base-Base interactions energy: -1012.305 where: short stacking energy: -473.928 Base-Backbone interact. energy: -2.190 local terms energy: -482.487016 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -84.270 flat angles C4'-P-C4' energy: -127.257 flat angles P-C4'-P energy: -66.831 tors. eta vs tors. theta energy: -106.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1182.195371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.195371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.195371 (E_RNA) where: Base-Base interactions energy: -759.406 where: short stacking energy: -334.338 Base-Backbone interact. energy: 1.045 local terms energy: -423.833761 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -113.645 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -43.507 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: 170 Temperature: 0.900000 Total energy: -2485.864675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.864675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.864675 (E_RNA) where: Base-Base interactions energy: -1749.078 where: short stacking energy: -742.806 Base-Backbone interact. energy: -4.175 local terms energy: -732.611943 where: bonds (distance) C4'-P energy: -137.487 bonds (distance) P-C4' energy: -129.176 flat angles C4'-P-C4' energy: -151.613 flat angles P-C4'-P energy: -117.047 tors. eta vs tors. theta energy: -197.289 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2405.509386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.509386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.509386 (E_RNA) where: Base-Base interactions energy: -1669.512 where: short stacking energy: -715.916 Base-Backbone interact. energy: -1.422 local terms energy: -734.575276 where: bonds (distance) C4'-P energy: -145.905 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -142.824 flat angles P-C4'-P energy: -99.413 tors. eta vs tors. theta energy: -209.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2222.847572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.847572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.847572 (E_RNA) where: Base-Base interactions energy: -1532.934 where: short stacking energy: -666.081 Base-Backbone interact. energy: -2.566 local terms energy: -687.347277 where: bonds (distance) C4'-P energy: -123.299 bonds (distance) P-C4' energy: -140.831 flat angles C4'-P-C4' energy: -152.234 flat angles P-C4'-P energy: -92.704 tors. eta vs tors. theta energy: -178.280 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: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2101.990330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.990330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.990330 (E_RNA) where: Base-Base interactions energy: -1440.138 where: short stacking energy: -650.645 Base-Backbone interact. energy: -3.350 local terms energy: -658.502315 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -149.384 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -168.126 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: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1993.418173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.418173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.418173 (E_RNA) where: Base-Base interactions energy: -1396.157 where: short stacking energy: -573.612 Base-Backbone interact. energy: -1.804 local terms energy: -595.457031 where: bonds (distance) C4'-P energy: -114.065 bonds (distance) P-C4' energy: -133.088 flat angles C4'-P-C4' energy: -121.303 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -137.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2038.394307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.394307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.394307 (E_RNA) where: Base-Base interactions energy: -1412.391 where: short stacking energy: -615.563 Base-Backbone interact. energy: -6.607 local terms energy: -619.396602 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -116.036 flat angles C4'-P-C4' energy: -130.096 flat angles P-C4'-P energy: -101.159 tors. eta vs tors. theta energy: -172.103 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1849.310351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.310351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.310351 (E_RNA) where: Base-Base interactions energy: -1262.593 where: short stacking energy: -576.878 Base-Backbone interact. energy: -1.009 local terms energy: -585.707802 where: bonds (distance) C4'-P energy: -115.228 bonds (distance) P-C4' energy: -117.635 flat angles C4'-P-C4' energy: -129.666 flat angles P-C4'-P energy: -81.347 tors. eta vs tors. theta energy: -141.832 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: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1498.325595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.325595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.325595 (E_RNA) where: Base-Base interactions energy: -992.568 where: short stacking energy: -442.124 Base-Backbone interact. energy: -3.161 local terms energy: -502.595907 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -117.496 flat angles C4'-P-C4' energy: -120.675 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -78.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1426.633180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.633180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.633180 (E_RNA) where: Base-Base interactions energy: -932.475 where: short stacking energy: -407.841 Base-Backbone interact. energy: -0.032 local terms energy: -494.126691 where: bonds (distance) C4'-P energy: -104.374 bonds (distance) P-C4' energy: -130.495 flat angles C4'-P-C4' energy: -114.034 flat angles P-C4'-P energy: -70.090 tors. eta vs tors. theta energy: -75.133 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: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1229.682198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.682198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.682198 (E_RNA) where: Base-Base interactions energy: -794.080 where: short stacking energy: -364.495 Base-Backbone interact. energy: 2.420 local terms energy: -438.022197 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -97.518 flat angles C4'-P-C4' energy: -119.051 flat angles P-C4'-P energy: -56.787 tors. eta vs tors. theta energy: -69.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2493.987841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.987841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.987841 (E_RNA) where: Base-Base interactions energy: -1763.604 where: short stacking energy: -733.330 Base-Backbone interact. energy: 3.613 local terms energy: -733.997366 where: bonds (distance) C4'-P energy: -124.545 bonds (distance) P-C4' energy: -130.215 flat angles C4'-P-C4' energy: -169.535 flat angles P-C4'-P energy: -109.311 tors. eta vs tors. theta energy: -200.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2448.666034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.666034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.666034 (E_RNA) where: Base-Base interactions energy: -1725.498 where: short stacking energy: -736.314 Base-Backbone interact. energy: -2.832 local terms energy: -720.335663 where: bonds (distance) C4'-P energy: -122.124 bonds (distance) P-C4' energy: -149.670 flat angles C4'-P-C4' energy: -146.218 flat angles P-C4'-P energy: -97.525 tors. eta vs tors. theta energy: -204.799 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: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2257.458663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.458663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.458663 (E_RNA) where: Base-Base interactions energy: -1567.082 where: short stacking energy: -662.008 Base-Backbone interact. energy: -1.013 local terms energy: -689.364095 where: bonds (distance) C4'-P energy: -121.005 bonds (distance) P-C4' energy: -134.460 flat angles C4'-P-C4' energy: -152.272 flat angles P-C4'-P energy: -105.302 tors. eta vs tors. theta energy: -176.324 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: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2111.672656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.672656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.672656 (E_RNA) where: Base-Base interactions energy: -1436.841 where: short stacking energy: -649.567 Base-Backbone interact. energy: -0.577 local terms energy: -674.255263 where: bonds (distance) C4'-P energy: -124.038 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -143.267 flat angles P-C4'-P energy: -105.776 tors. eta vs tors. theta energy: -164.923 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: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1990.567308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.567308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.567308 (E_RNA) where: Base-Base interactions energy: -1365.341 where: short stacking energy: -564.510 Base-Backbone interact. energy: -1.653 local terms energy: -623.573560 where: bonds (distance) C4'-P energy: -122.694 bonds (distance) P-C4' energy: -138.509 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -85.726 tors. eta vs tors. theta energy: -146.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2068.838979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.838979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.838979 (E_RNA) where: Base-Base interactions energy: -1428.058 where: short stacking energy: -629.794 Base-Backbone interact. energy: -1.993 local terms energy: -638.788431 where: bonds (distance) C4'-P energy: -130.636 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -135.907 flat angles P-C4'-P energy: -94.446 tors. eta vs tors. theta energy: -169.581 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: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1837.015576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.015576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.015576 (E_RNA) where: Base-Base interactions energy: -1266.861 where: short stacking energy: -562.628 Base-Backbone interact. energy: -2.606 local terms energy: -567.548787 where: bonds (distance) C4'-P energy: -121.469 bonds (distance) P-C4' energy: -112.604 flat angles C4'-P-C4' energy: -129.336 flat angles P-C4'-P energy: -74.025 tors. eta vs tors. theta energy: -130.115 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: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1529.362951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.362951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.362951 (E_RNA) where: Base-Base interactions energy: -1026.641 where: short stacking energy: -457.031 Base-Backbone interact. energy: 3.140 local terms energy: -505.862345 where: bonds (distance) C4'-P energy: -101.975 bonds (distance) P-C4' energy: -107.862 flat angles C4'-P-C4' energy: -119.994 flat angles P-C4'-P energy: -80.765 tors. eta vs tors. theta energy: -95.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1502.720776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.720776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.720776 (E_RNA) where: Base-Base interactions energy: -1033.671 where: short stacking energy: -439.689 Base-Backbone interact. energy: 1.240 local terms energy: -470.290399 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -106.842 flat angles C4'-P-C4' energy: -129.121 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: -98.580 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: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1232.682530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.682530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.682530 (E_RNA) where: Base-Base interactions energy: -835.306 where: short stacking energy: -373.730 Base-Backbone interact. energy: 2.047 local terms energy: -399.424237 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -98.815 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -31.646 tors. eta vs tors. theta energy: -47.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2502.636536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.636536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.636536 (E_RNA) where: Base-Base interactions energy: -1782.381 where: short stacking energy: -730.422 Base-Backbone interact. energy: -3.553 local terms energy: -716.703167 where: bonds (distance) C4'-P energy: -142.072 bonds (distance) P-C4' energy: -136.840 flat angles C4'-P-C4' energy: -147.553 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -200.912 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2388.313226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.313226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.313226 (E_RNA) where: Base-Base interactions energy: -1662.614 where: short stacking energy: -737.538 Base-Backbone interact. energy: -1.341 local terms energy: -724.358012 where: bonds (distance) C4'-P energy: -130.835 bonds (distance) P-C4' energy: -129.341 flat angles C4'-P-C4' energy: -155.799 flat angles P-C4'-P energy: -103.897 tors. eta vs tors. theta energy: -204.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2235.243205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.243205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.243205 (E_RNA) where: Base-Base interactions energy: -1549.339 where: short stacking energy: -676.644 Base-Backbone interact. energy: -3.105 local terms energy: -682.798938 where: bonds (distance) C4'-P energy: -134.200 bonds (distance) P-C4' energy: -128.602 flat angles C4'-P-C4' energy: -141.092 flat angles P-C4'-P energy: -97.179 tors. eta vs tors. theta energy: -181.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2120.779235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.779235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.779235 (E_RNA) where: Base-Base interactions energy: -1456.201 where: short stacking energy: -666.306 Base-Backbone interact. energy: -1.074 local terms energy: -663.503450 where: bonds (distance) C4'-P energy: -133.141 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -141.790 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -165.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2179.175302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.175302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.175302 (E_RNA) where: Base-Base interactions energy: -1527.722 where: short stacking energy: -653.694 Base-Backbone interact. energy: -3.955 local terms energy: -647.498121 where: bonds (distance) C4'-P energy: -123.847 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -140.097 flat angles P-C4'-P energy: -85.449 tors. eta vs tors. theta energy: -183.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1910.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.818785 (E_RNA) where: Base-Base interactions energy: -1327.596 where: short stacking energy: -563.978 Base-Backbone interact. energy: 2.314 local terms energy: -585.536895 where: bonds (distance) C4'-P energy: -118.766 bonds (distance) P-C4' energy: -119.625 flat angles C4'-P-C4' energy: -137.434 flat angles P-C4'-P energy: -65.916 tors. eta vs tors. theta energy: -143.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1843.845659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.845659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.845659 (E_RNA) where: Base-Base interactions energy: -1243.621 where: short stacking energy: -543.375 Base-Backbone interact. energy: -1.026 local terms energy: -599.198978 where: bonds (distance) C4'-P energy: -117.092 bonds (distance) P-C4' energy: -119.297 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -89.192 tors. eta vs tors. theta energy: -134.522 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: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1519.804624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.804624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.804624 (E_RNA) where: Base-Base interactions energy: -1023.552 where: short stacking energy: -421.666 Base-Backbone interact. energy: -3.743 local terms energy: -492.510003 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -117.281 flat angles C4'-P-C4' energy: -108.310 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -87.134 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: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1511.516304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.516304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.516304 (E_RNA) where: Base-Base interactions energy: -1031.444 where: short stacking energy: -433.307 Base-Backbone interact. energy: 5.497 local terms energy: -485.569535 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -109.454 flat angles C4'-P-C4' energy: -129.020 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -80.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1317.558931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.558931 (E_RNA) where: Base-Base interactions energy: -839.048 where: short stacking energy: -381.457 Base-Backbone interact. energy: 0.962 local terms energy: -479.473040 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -71.237 tors. eta vs tors. theta energy: -66.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2493.915859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.915859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.915859 (E_RNA) where: Base-Base interactions energy: -1756.203 where: short stacking energy: -710.835 Base-Backbone interact. energy: -2.255 local terms energy: -735.457875 where: bonds (distance) C4'-P energy: -154.640 bonds (distance) P-C4' energy: -139.876 flat angles C4'-P-C4' energy: -147.797 flat angles P-C4'-P energy: -98.619 tors. eta vs tors. theta energy: -194.527 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2445.673133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.673133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.673133 (E_RNA) where: Base-Base interactions energy: -1704.865 where: short stacking energy: -758.331 Base-Backbone interact. energy: -2.312 local terms energy: -738.495931 where: bonds (distance) C4'-P energy: -137.328 bonds (distance) P-C4' energy: -120.476 flat angles C4'-P-C4' energy: -167.782 flat angles P-C4'-P energy: -106.571 tors. eta vs tors. theta energy: -206.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2245.909084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.909084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.909084 (E_RNA) where: Base-Base interactions energy: -1567.937 where: short stacking energy: -692.989 Base-Backbone interact. energy: -2.254 local terms energy: -675.718185 where: bonds (distance) C4'-P energy: -121.084 bonds (distance) P-C4' energy: -133.466 flat angles C4'-P-C4' energy: -134.849 flat angles P-C4'-P energy: -86.903 tors. eta vs tors. theta energy: -199.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2096.014547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.014547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.014547 (E_RNA) where: Base-Base interactions energy: -1474.208 where: short stacking energy: -639.595 Base-Backbone interact. energy: 2.846 local terms energy: -624.652586 where: bonds (distance) C4'-P energy: -121.019 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -127.952 flat angles P-C4'-P energy: -97.340 tors. eta vs tors. theta energy: -149.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2189.457503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.457503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.457503 (E_RNA) where: Base-Base interactions energy: -1508.616 where: short stacking energy: -630.219 Base-Backbone interact. energy: -3.213 local terms energy: -677.627607 where: bonds (distance) C4'-P energy: -120.388 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -143.397 flat angles P-C4'-P energy: -106.855 tors. eta vs tors. theta energy: -168.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1877.494669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.494669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.494669 (E_RNA) where: Base-Base interactions energy: -1294.663 where: short stacking energy: -548.930 Base-Backbone interact. energy: -0.924 local terms energy: -581.907975 where: bonds (distance) C4'-P energy: -126.107 bonds (distance) P-C4' energy: -120.957 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -74.397 tors. eta vs tors. theta energy: -132.443 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: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1848.220713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.220713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.220713 (E_RNA) where: Base-Base interactions energy: -1277.654 where: short stacking energy: -550.018 Base-Backbone interact. energy: 0.025 local terms energy: -570.591457 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -105.921 flat angles C4'-P-C4' energy: -117.153 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -148.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1530.398214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.398214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.398214 (E_RNA) where: Base-Base interactions energy: -1022.263 where: short stacking energy: -458.667 Base-Backbone interact. energy: -2.024 local terms energy: -506.111784 where: bonds (distance) C4'-P energy: -111.523 bonds (distance) P-C4' energy: -106.314 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -90.349 tors. eta vs tors. theta energy: -74.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1450.585377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.585377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.585377 (E_RNA) where: Base-Base interactions energy: -982.785 where: short stacking energy: -399.392 Base-Backbone interact. energy: -1.427 local terms energy: -466.373126 where: bonds (distance) C4'-P energy: -94.739 bonds (distance) P-C4' energy: -116.028 flat angles C4'-P-C4' energy: -101.732 flat angles P-C4'-P energy: -77.937 tors. eta vs tors. theta energy: -75.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1343.964076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.964076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.964076 (E_RNA) where: Base-Base interactions energy: -869.946 where: short stacking energy: -374.740 Base-Backbone interact. energy: -3.110 local terms energy: -470.908583 where: bonds (distance) C4'-P energy: -116.290 bonds (distance) P-C4' energy: -114.376 flat angles C4'-P-C4' energy: -112.566 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -61.901 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: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2493.695945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.695945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.695945 (E_RNA) where: Base-Base interactions energy: -1746.351 where: short stacking energy: -722.301 Base-Backbone interact. energy: -3.396 local terms energy: -743.949763 where: bonds (distance) C4'-P energy: -142.254 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -153.858 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -194.172 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: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2427.137967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.137967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.137967 (E_RNA) where: Base-Base interactions energy: -1663.313 where: short stacking energy: -741.999 Base-Backbone interact. energy: -0.967 local terms energy: -762.858285 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -149.678 flat angles C4'-P-C4' energy: -155.702 flat angles P-C4'-P energy: -98.946 tors. eta vs tors. theta energy: -220.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2285.793877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.793877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.793877 (E_RNA) where: Base-Base interactions energy: -1613.138 where: short stacking energy: -705.965 Base-Backbone interact. energy: -0.378 local terms energy: -672.277503 where: bonds (distance) C4'-P energy: -121.223 bonds (distance) P-C4' energy: -124.870 flat angles C4'-P-C4' energy: -145.523 flat angles P-C4'-P energy: -102.138 tors. eta vs tors. theta energy: -178.523 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: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2141.553059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.553059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.553059 (E_RNA) where: Base-Base interactions energy: -1485.572 where: short stacking energy: -637.070 Base-Backbone interact. energy: -3.303 local terms energy: -652.678435 where: bonds (distance) C4'-P energy: -113.532 bonds (distance) P-C4' energy: -137.025 flat angles C4'-P-C4' energy: -145.958 flat angles P-C4'-P energy: -89.529 tors. eta vs tors. theta energy: -166.634 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: 174 Temperature: 1.100000 Total energy: -2147.701671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.701671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.701671 (E_RNA) where: Base-Base interactions energy: -1508.840 where: short stacking energy: -634.293 Base-Backbone interact. energy: -1.358 local terms energy: -637.504518 where: bonds (distance) C4'-P energy: -104.789 bonds (distance) P-C4' energy: -129.101 flat angles C4'-P-C4' energy: -146.428 flat angles P-C4'-P energy: -87.145 tors. eta vs tors. theta energy: -170.041 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1790.798258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.798258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.798258 (E_RNA) where: Base-Base interactions energy: -1232.670 where: short stacking energy: -549.264 Base-Backbone interact. energy: 0.030 local terms energy: -558.157744 where: bonds (distance) C4'-P energy: -109.044 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -118.231 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -124.889 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: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1844.342861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.342861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.342861 (E_RNA) where: Base-Base interactions energy: -1240.348 where: short stacking energy: -549.204 Base-Backbone interact. energy: -0.020 local terms energy: -604.410006 where: bonds (distance) C4'-P energy: -122.391 bonds (distance) P-C4' energy: -111.386 flat angles C4'-P-C4' energy: -144.406 flat angles P-C4'-P energy: -91.926 tors. eta vs tors. theta energy: -134.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.436 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1550.959997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.959997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.959997 (E_RNA) where: Base-Base interactions energy: -1032.946 where: short stacking energy: -477.761 Base-Backbone interact. energy: -2.705 local terms energy: -515.308994 where: bonds (distance) C4'-P energy: -122.964 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -62.255 tors. eta vs tors. theta energy: -101.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1431.237210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.237210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.237210 (E_RNA) where: Base-Base interactions energy: -959.714 where: short stacking energy: -410.964 Base-Backbone interact. energy: -1.814 local terms energy: -469.708908 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -110.064 flat angles C4'-P-C4' energy: -113.294 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -64.644 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: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1344.540698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.540698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.540698 (E_RNA) where: Base-Base interactions energy: -884.927 where: short stacking energy: -404.588 Base-Backbone interact. energy: 4.094 local terms energy: -463.707727 where: bonds (distance) C4'-P energy: -92.782 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -110.153 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -67.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2514.694116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.694116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.694116 (E_RNA) where: Base-Base interactions energy: -1787.351 where: short stacking energy: -736.042 Base-Backbone interact. energy: -1.257 local terms energy: -726.085582 where: bonds (distance) C4'-P energy: -136.367 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -154.905 flat angles P-C4'-P energy: -92.742 tors. eta vs tors. theta energy: -203.172 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: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2417.523273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.523273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.523273 (E_RNA) where: Base-Base interactions energy: -1688.811 where: short stacking energy: -756.577 Base-Backbone interact. energy: -2.117 local terms energy: -726.594638 where: bonds (distance) C4'-P energy: -126.444 bonds (distance) P-C4' energy: -128.110 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -98.223 tors. eta vs tors. theta energy: -215.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2251.547810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.547810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.547810 (E_RNA) where: Base-Base interactions energy: -1580.001 where: short stacking energy: -671.553 Base-Backbone interact. energy: -3.092 local terms energy: -668.454984 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -144.508 flat angles C4'-P-C4' energy: -141.806 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -174.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2137.105552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.105552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.105552 (E_RNA) where: Base-Base interactions energy: -1476.486 where: short stacking energy: -648.380 Base-Backbone interact. energy: -2.329 local terms energy: -658.289954 where: bonds (distance) C4'-P energy: -126.457 bonds (distance) P-C4' energy: -118.634 flat angles C4'-P-C4' energy: -131.227 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -179.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2146.664676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.664676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.664676 (E_RNA) where: Base-Base interactions energy: -1485.767 where: short stacking energy: -618.851 Base-Backbone interact. energy: 2.590 local terms energy: -663.487699 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -127.059 flat angles C4'-P-C4' energy: -143.362 flat angles P-C4'-P energy: -94.851 tors. eta vs tors. theta energy: -168.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1973.738905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.738905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.738905 (E_RNA) where: Base-Base interactions energy: -1365.700 where: short stacking energy: -594.173 Base-Backbone interact. energy: 5.055 local terms energy: -613.093803 where: bonds (distance) C4'-P energy: -130.688 bonds (distance) P-C4' energy: -124.565 flat angles C4'-P-C4' energy: -118.187 flat angles P-C4'-P energy: -89.638 tors. eta vs tors. theta energy: -150.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1756.363489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.363489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.363489 (E_RNA) where: Base-Base interactions energy: -1176.785 where: short stacking energy: -481.408 Base-Backbone interact. energy: -1.883 local terms energy: -577.695627 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -144.803 flat angles C4'-P-C4' energy: -116.964 flat angles P-C4'-P energy: -93.582 tors. eta vs tors. theta energy: -108.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1533.467930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.467930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.467930 (E_RNA) where: Base-Base interactions energy: -1006.583 where: short stacking energy: -453.891 Base-Backbone interact. energy: 1.316 local terms energy: -528.200905 where: bonds (distance) C4'-P energy: -120.288 bonds (distance) P-C4' energy: -111.491 flat angles C4'-P-C4' energy: -130.352 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -91.489 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: 175 Temperature: 1.300000 Total energy: -1423.729057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.729057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.729057 (E_RNA) where: Base-Base interactions energy: -977.017 where: short stacking energy: -430.668 Base-Backbone interact. energy: -3.241 local terms energy: -443.471005 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -106.906 flat angles C4'-P-C4' energy: -116.560 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -72.180 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: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1245.357928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.357928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.357928 (E_RNA) where: Base-Base interactions energy: -799.515 where: short stacking energy: -337.064 Base-Backbone interact. energy: 2.965 local terms energy: -448.808139 where: bonds (distance) C4'-P energy: -116.858 bonds (distance) P-C4' energy: -101.836 flat angles C4'-P-C4' energy: -109.794 flat angles P-C4'-P energy: -75.005 tors. eta vs tors. theta energy: -45.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2494.697312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.697312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.697312 (E_RNA) where: Base-Base interactions energy: -1752.113 where: short stacking energy: -738.029 Base-Backbone interact. energy: -3.103 local terms energy: -739.481639 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -142.832 flat angles C4'-P-C4' energy: -153.901 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -203.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2435.726292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.726292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.726292 (E_RNA) where: Base-Base interactions energy: -1700.297 where: short stacking energy: -768.715 Base-Backbone interact. energy: -1.545 local terms energy: -733.883687 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -102.551 tors. eta vs tors. theta energy: -217.923 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: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2249.758670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.758670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.758670 (E_RNA) where: Base-Base interactions energy: -1565.663 where: short stacking energy: -675.814 Base-Backbone interact. energy: -1.966 local terms energy: -682.129673 where: bonds (distance) C4'-P energy: -125.121 bonds (distance) P-C4' energy: -130.672 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -100.587 tors. eta vs tors. theta energy: -172.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2140.413437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.413437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.413437 (E_RNA) where: Base-Base interactions energy: -1451.867 where: short stacking energy: -640.483 Base-Backbone interact. energy: 1.541 local terms energy: -690.087155 where: bonds (distance) C4'-P energy: -129.459 bonds (distance) P-C4' energy: -132.532 flat angles C4'-P-C4' energy: -141.156 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -176.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2201.994107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.994107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.994107 (E_RNA) where: Base-Base interactions energy: -1556.234 where: short stacking energy: -654.289 Base-Backbone interact. energy: -4.528 local terms energy: -641.232123 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -109.113 flat angles C4'-P-C4' energy: -147.126 flat angles P-C4'-P energy: -82.395 tors. eta vs tors. theta energy: -182.502 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: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1969.769438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.769438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.769438 (E_RNA) where: Base-Base interactions energy: -1357.440 where: short stacking energy: -592.631 Base-Backbone interact. energy: -3.435 local terms energy: -608.894010 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -135.735 flat angles P-C4'-P energy: -87.303 tors. eta vs tors. theta energy: -152.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1786.165328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.165328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.165328 (E_RNA) where: Base-Base interactions energy: -1241.488 where: short stacking energy: -532.818 Base-Backbone interact. energy: -5.210 local terms energy: -539.466914 where: bonds (distance) C4'-P energy: -102.275 bonds (distance) P-C4' energy: -117.683 flat angles C4'-P-C4' energy: -134.721 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -108.579 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: 8, replica: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1609.649040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.649040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.649040 (E_RNA) where: Base-Base interactions energy: -1126.266 where: short stacking energy: -488.528 Base-Backbone interact. energy: -3.299 local terms energy: -480.083531 where: bonds (distance) C4'-P energy: -111.199 bonds (distance) P-C4' energy: -105.939 flat angles C4'-P-C4' energy: -101.099 flat angles P-C4'-P energy: -65.830 tors. eta vs tors. theta energy: -96.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1396.574618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.574618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.574618 (E_RNA) where: Base-Base interactions energy: -903.939 where: short stacking energy: -403.732 Base-Backbone interact. energy: 2.656 local terms energy: -495.291962 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -107.440 flat angles C4'-P-C4' energy: -124.142 flat angles P-C4'-P energy: -72.944 tors. eta vs tors. theta energy: -87.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1248.974677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.974677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.974677 (E_RNA) where: Base-Base interactions energy: -841.576 where: short stacking energy: -364.985 Base-Backbone interact. energy: 1.719 local terms energy: -409.117279 where: bonds (distance) C4'-P energy: -105.914 bonds (distance) P-C4' energy: -117.761 flat angles C4'-P-C4' energy: -84.838 flat angles P-C4'-P energy: -51.233 tors. eta vs tors. theta energy: -49.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2512.165290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.165290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.165290 (E_RNA) where: Base-Base interactions energy: -1780.730 where: short stacking energy: -756.166 Base-Backbone interact. energy: 0.339 local terms energy: -731.774672 where: bonds (distance) C4'-P energy: -127.744 bonds (distance) P-C4' energy: -138.702 flat angles C4'-P-C4' energy: -158.947 flat angles P-C4'-P energy: -103.472 tors. eta vs tors. theta energy: -202.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2436.299313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.299313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.299313 (E_RNA) where: Base-Base interactions energy: -1684.048 where: short stacking energy: -756.862 Base-Backbone interact. energy: -2.451 local terms energy: -749.799651 where: bonds (distance) C4'-P energy: -140.417 bonds (distance) P-C4' energy: -132.780 flat angles C4'-P-C4' energy: -162.405 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -208.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2274.381984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.381984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.381984 (E_RNA) where: Base-Base interactions energy: -1592.921 where: short stacking energy: -686.459 Base-Backbone interact. energy: -1.785 local terms energy: -679.675403 where: bonds (distance) C4'-P energy: -122.095 bonds (distance) P-C4' energy: -137.488 flat angles C4'-P-C4' energy: -154.798 flat angles P-C4'-P energy: -95.426 tors. eta vs tors. theta energy: -169.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2186.529413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.529413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.529413 (E_RNA) where: Base-Base interactions energy: -1517.608 where: short stacking energy: -639.160 Base-Backbone interact. energy: -1.579 local terms energy: -667.342537 where: bonds (distance) C4'-P energy: -117.003 bonds (distance) P-C4' energy: -133.543 flat angles C4'-P-C4' energy: -147.892 flat angles P-C4'-P energy: -100.348 tors. eta vs tors. theta energy: -168.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2082.899224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.899224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.899224 (E_RNA) where: Base-Base interactions energy: -1449.327 where: short stacking energy: -624.501 Base-Backbone interact. energy: -2.298 local terms energy: -631.273714 where: bonds (distance) C4'-P energy: -119.336 bonds (distance) P-C4' energy: -123.865 flat angles C4'-P-C4' energy: -134.878 flat angles P-C4'-P energy: -86.982 tors. eta vs tors. theta energy: -166.214 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: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1960.803458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.803458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.803458 (E_RNA) where: Base-Base interactions energy: -1326.124 where: short stacking energy: -614.897 Base-Backbone interact. energy: -2.759 local terms energy: -631.920799 where: bonds (distance) C4'-P energy: -119.361 bonds (distance) P-C4' energy: -128.617 flat angles C4'-P-C4' energy: -139.065 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -154.040 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: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1716.279645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.279645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.279645 (E_RNA) where: Base-Base interactions energy: -1142.270 where: short stacking energy: -503.500 Base-Backbone interact. energy: 2.664 local terms energy: -576.673743 where: bonds (distance) C4'-P energy: -105.985 bonds (distance) P-C4' energy: -129.835 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -78.086 tors. eta vs tors. theta energy: -132.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1580.430742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.430742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.430742 (E_RNA) where: Base-Base interactions energy: -1056.948 where: short stacking energy: -456.970 Base-Backbone interact. energy: -2.167 local terms energy: -521.315815 where: bonds (distance) C4'-P energy: -113.495 bonds (distance) P-C4' energy: -117.815 flat angles C4'-P-C4' energy: -130.258 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -82.131 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: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1353.160505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.160505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.160505 (E_RNA) where: Base-Base interactions energy: -884.459 where: short stacking energy: -418.169 Base-Backbone interact. energy: 2.900 local terms energy: -471.601915 where: bonds (distance) C4'-P energy: -95.930 bonds (distance) P-C4' energy: -121.652 flat angles C4'-P-C4' energy: -102.933 flat angles P-C4'-P energy: -75.559 tors. eta vs tors. theta energy: -75.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1271.143701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.143701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.143701 (E_RNA) where: Base-Base interactions energy: -844.826 where: short stacking energy: -367.955 Base-Backbone interact. energy: -0.201 local terms energy: -426.116733 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -107.369 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -69.731 tors. eta vs tors. theta energy: -62.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2490.825339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.825339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.825339 (E_RNA) where: Base-Base interactions energy: -1738.392 where: short stacking energy: -740.717 Base-Backbone interact. energy: -3.984 local terms energy: -748.449348 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -142.691 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -106.614 tors. eta vs tors. theta energy: -203.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2447.909662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.909662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.909662 (E_RNA) where: Base-Base interactions energy: -1689.413 where: short stacking energy: -756.251 Base-Backbone interact. energy: -3.841 local terms energy: -754.655241 where: bonds (distance) C4'-P energy: -139.036 bonds (distance) P-C4' energy: -138.361 flat angles C4'-P-C4' energy: -155.868 flat angles P-C4'-P energy: -102.450 tors. eta vs tors. theta energy: -218.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2293.593768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.593768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.593768 (E_RNA) where: Base-Base interactions energy: -1614.081 where: short stacking energy: -693.103 Base-Backbone interact. energy: -2.707 local terms energy: -676.805774 where: bonds (distance) C4'-P energy: -129.209 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -155.507 flat angles P-C4'-P energy: -85.659 tors. eta vs tors. theta energy: -179.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2204.801014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.801014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.801014 (E_RNA) where: Base-Base interactions energy: -1545.183 where: short stacking energy: -639.463 Base-Backbone interact. energy: -3.631 local terms energy: -655.986439 where: bonds (distance) C4'-P energy: -116.571 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -139.673 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -181.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2160.692188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.692188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.692188 (E_RNA) where: Base-Base interactions energy: -1466.310 where: short stacking energy: -642.936 Base-Backbone interact. energy: 0.176 local terms energy: -694.558201 where: bonds (distance) C4'-P energy: -152.509 bonds (distance) P-C4' energy: -132.816 flat angles C4'-P-C4' energy: -143.962 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -170.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1976.893752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.893752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.893752 (E_RNA) where: Base-Base interactions energy: -1352.239 where: short stacking energy: -556.884 Base-Backbone interact. energy: -2.394 local terms energy: -622.260567 where: bonds (distance) C4'-P energy: -128.166 bonds (distance) P-C4' energy: -114.807 flat angles C4'-P-C4' energy: -136.541 flat angles P-C4'-P energy: -97.750 tors. eta vs tors. theta energy: -144.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1778.497346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.497346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.497346 (E_RNA) where: Base-Base interactions energy: -1223.597 where: short stacking energy: -541.015 Base-Backbone interact. energy: -1.285 local terms energy: -553.615158 where: bonds (distance) C4'-P energy: -111.441 bonds (distance) P-C4' energy: -125.541 flat angles C4'-P-C4' energy: -115.618 flat angles P-C4'-P energy: -72.050 tors. eta vs tors. theta energy: -128.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1553.333987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.333987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.333987 (E_RNA) where: Base-Base interactions energy: -1048.757 where: short stacking energy: -466.284 Base-Backbone interact. energy: 1.738 local terms energy: -506.314825 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -124.449 flat angles C4'-P-C4' energy: -107.563 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -96.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1378.868409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.868409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.868409 (E_RNA) where: Base-Base interactions energy: -918.439 where: short stacking energy: -401.078 Base-Backbone interact. energy: -0.358 local terms energy: -460.071392 where: bonds (distance) C4'-P energy: -99.569 bonds (distance) P-C4' energy: -108.570 flat angles C4'-P-C4' energy: -99.293 flat angles P-C4'-P energy: -70.486 tors. eta vs tors. theta energy: -82.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1244.098520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.098520 (E_RNA) where: Base-Base interactions energy: -806.948 where: short stacking energy: -347.776 Base-Backbone interact. energy: 0.654 local terms energy: -437.804691 where: bonds (distance) C4'-P energy: -107.310 bonds (distance) P-C4' energy: -104.214 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -60.782 tors. eta vs tors. theta energy: -58.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2532.843042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.843042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.843042 (E_RNA) where: Base-Base interactions energy: -1791.461 where: short stacking energy: -758.477 Base-Backbone interact. energy: -4.157 local terms energy: -737.225402 where: bonds (distance) C4'-P energy: -128.937 bonds (distance) P-C4' energy: -137.763 flat angles C4'-P-C4' energy: -164.591 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -216.079 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: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2426.485210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.485210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.485210 (E_RNA) where: Base-Base interactions energy: -1676.749 where: short stacking energy: -739.384 Base-Backbone interact. energy: -2.712 local terms energy: -747.024512 where: bonds (distance) C4'-P energy: -132.951 bonds (distance) P-C4' energy: -137.945 flat angles C4'-P-C4' energy: -158.537 flat angles P-C4'-P energy: -104.096 tors. eta vs tors. theta energy: -213.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2237.725751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.725751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.725751 (E_RNA) where: Base-Base interactions energy: -1562.900 where: short stacking energy: -679.864 Base-Backbone interact. energy: -0.465 local terms energy: -674.360659 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -130.676 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -94.976 tors. eta vs tors. theta energy: -180.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2205.276210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.276210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.276210 (E_RNA) where: Base-Base interactions energy: -1529.123 where: short stacking energy: -645.395 Base-Backbone interact. energy: -1.300 local terms energy: -674.852522 where: bonds (distance) C4'-P energy: -129.396 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -149.466 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -175.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2087.450804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.450804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.450804 (E_RNA) where: Base-Base interactions energy: -1422.864 where: short stacking energy: -628.288 Base-Backbone interact. energy: -0.922 local terms energy: -663.664619 where: bonds (distance) C4'-P energy: -124.675 bonds (distance) P-C4' energy: -144.780 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -91.809 tors. eta vs tors. theta energy: -169.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2013.736052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.736052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.736052 (E_RNA) where: Base-Base interactions energy: -1400.637 where: short stacking energy: -628.212 Base-Backbone interact. energy: -2.329 local terms energy: -610.769336 where: bonds (distance) C4'-P energy: -97.698 bonds (distance) P-C4' energy: -137.879 flat angles C4'-P-C4' energy: -141.434 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -154.394 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: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1735.694691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.694691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.694691 (E_RNA) where: Base-Base interactions energy: -1159.098 where: short stacking energy: -516.164 Base-Backbone interact. energy: -1.795 local terms energy: -574.801603 where: bonds (distance) C4'-P energy: -114.191 bonds (distance) P-C4' energy: -133.516 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -123.090 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: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1535.368302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.368302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.368302 (E_RNA) where: Base-Base interactions energy: -1008.680 where: short stacking energy: -429.398 Base-Backbone interact. energy: -3.307 local terms energy: -523.381088 where: bonds (distance) C4'-P energy: -123.946 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -73.487 tors. eta vs tors. theta energy: -77.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1321.552018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.552018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.552018 (E_RNA) where: Base-Base interactions energy: -876.130 where: short stacking energy: -393.844 Base-Backbone interact. energy: -0.282 local terms energy: -445.140580 where: bonds (distance) C4'-P energy: -111.422 bonds (distance) P-C4' energy: -95.544 flat angles C4'-P-C4' energy: -111.563 flat angles P-C4'-P energy: -53.188 tors. eta vs tors. theta energy: -73.424 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: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1243.738542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.738542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.738542 (E_RNA) where: Base-Base interactions energy: -824.317 where: short stacking energy: -365.945 Base-Backbone interact. energy: 1.983 local terms energy: -421.404777 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -93.790 flat angles P-C4'-P energy: -59.955 tors. eta vs tors. theta energy: -39.216 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: 180 Temperature: 0.900000 Total energy: -2539.964914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.964914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.964914 (E_RNA) where: Base-Base interactions energy: -1792.712 where: short stacking energy: -742.989 Base-Backbone interact. energy: -5.825 local terms energy: -741.427979 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -134.453 flat angles C4'-P-C4' energy: -161.194 flat angles P-C4'-P energy: -105.821 tors. eta vs tors. theta energy: -207.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2415.021885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.021885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.021885 (E_RNA) where: Base-Base interactions energy: -1683.103 where: short stacking energy: -740.495 Base-Backbone interact. energy: -3.937 local terms energy: -727.982367 where: bonds (distance) C4'-P energy: -138.721 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -156.153 flat angles P-C4'-P energy: -98.228 tors. eta vs tors. theta energy: -206.524 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: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2263.609781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.609781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.609781 (E_RNA) where: Base-Base interactions energy: -1553.817 where: short stacking energy: -668.694 Base-Backbone interact. energy: -2.097 local terms energy: -707.695816 where: bonds (distance) C4'-P energy: -128.211 bonds (distance) P-C4' energy: -142.928 flat angles C4'-P-C4' energy: -154.266 flat angles P-C4'-P energy: -98.179 tors. eta vs tors. theta energy: -184.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2214.961048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.961048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.961048 (E_RNA) where: Base-Base interactions energy: -1568.117 where: short stacking energy: -679.579 Base-Backbone interact. energy: -4.059 local terms energy: -642.784232 where: bonds (distance) C4'-P energy: -105.145 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -144.186 flat angles P-C4'-P energy: -80.940 tors. eta vs tors. theta energy: -173.000 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: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2116.825205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.825205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.825205 (E_RNA) where: Base-Base interactions energy: -1471.719 where: short stacking energy: -623.132 Base-Backbone interact. energy: 3.283 local terms energy: -648.388933 where: bonds (distance) C4'-P energy: -128.944 bonds (distance) P-C4' energy: -104.496 flat angles C4'-P-C4' energy: -154.595 flat angles P-C4'-P energy: -84.361 tors. eta vs tors. theta energy: -175.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1959.617780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.617780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.617780 (E_RNA) where: Base-Base interactions energy: -1362.768 where: short stacking energy: -623.979 Base-Backbone interact. energy: -2.308 local terms energy: -594.541917 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -105.267 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -82.960 tors. eta vs tors. theta energy: -171.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1827.496293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.496293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.496293 (E_RNA) where: Base-Base interactions energy: -1236.834 where: short stacking energy: -555.317 Base-Backbone interact. energy: 2.612 local terms energy: -593.274143 where: bonds (distance) C4'-P energy: -130.896 bonds (distance) P-C4' energy: -114.237 flat angles C4'-P-C4' energy: -123.847 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -142.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1561.788702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.788702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.788702 (E_RNA) where: Base-Base interactions energy: -1065.282 where: short stacking energy: -449.975 Base-Backbone interact. energy: -0.457 local terms energy: -496.049600 where: bonds (distance) C4'-P energy: -112.699 bonds (distance) P-C4' energy: -117.899 flat angles C4'-P-C4' energy: -112.178 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -82.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1275.867183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.867183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.867183 (E_RNA) where: Base-Base interactions energy: -815.244 where: short stacking energy: -375.989 Base-Backbone interact. energy: -2.256 local terms energy: -458.367273 where: bonds (distance) C4'-P energy: -99.806 bonds (distance) P-C4' energy: -104.692 flat angles C4'-P-C4' energy: -123.584 flat angles P-C4'-P energy: -63.182 tors. eta vs tors. theta energy: -67.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1275.535394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.535394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.535394 (E_RNA) where: Base-Base interactions energy: -835.169 where: short stacking energy: -359.026 Base-Backbone interact. energy: -0.810 local terms energy: -439.557236 where: bonds (distance) C4'-P energy: -110.839 bonds (distance) P-C4' energy: -108.225 flat angles C4'-P-C4' energy: -95.444 flat angles P-C4'-P energy: -69.393 tors. eta vs tors. theta energy: -55.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2522.823161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.823161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.823161 (E_RNA) where: Base-Base interactions energy: -1778.864 where: short stacking energy: -751.846 Base-Backbone interact. energy: -3.661 local terms energy: -740.297908 where: bonds (distance) C4'-P energy: -131.288 bonds (distance) P-C4' energy: -138.442 flat angles C4'-P-C4' energy: -156.851 flat angles P-C4'-P energy: -111.281 tors. eta vs tors. theta energy: -202.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2426.331909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.331909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.331909 (E_RNA) where: Base-Base interactions energy: -1702.292 where: short stacking energy: -748.951 Base-Backbone interact. energy: -1.289 local terms energy: -722.750570 where: bonds (distance) C4'-P energy: -123.516 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -159.051 flat angles P-C4'-P energy: -100.331 tors. eta vs tors. theta energy: -204.544 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: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2258.887545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.887545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.887545 (E_RNA) where: Base-Base interactions energy: -1573.170 where: short stacking energy: -671.248 Base-Backbone interact. energy: 0.474 local terms energy: -686.190684 where: bonds (distance) C4'-P energy: -119.161 bonds (distance) P-C4' energy: -136.606 flat angles C4'-P-C4' energy: -150.922 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -173.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2185.965434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.965434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.965434 (E_RNA) where: Base-Base interactions energy: -1531.456 where: short stacking energy: -640.633 Base-Backbone interact. energy: -1.932 local terms energy: -652.578168 where: bonds (distance) C4'-P energy: -113.786 bonds (distance) P-C4' energy: -137.433 flat angles C4'-P-C4' energy: -141.950 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -163.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2095.918003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.918003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.918003 (E_RNA) where: Base-Base interactions energy: -1447.179 where: short stacking energy: -649.625 Base-Backbone interact. energy: -2.872 local terms energy: -645.867411 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -115.877 flat angles C4'-P-C4' energy: -142.502 flat angles P-C4'-P energy: -83.903 tors. eta vs tors. theta energy: -176.823 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: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1948.680253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.680253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.680253 (E_RNA) where: Base-Base interactions energy: -1345.425 where: short stacking energy: -587.839 Base-Backbone interact. energy: -1.830 local terms energy: -601.424675 where: bonds (distance) C4'-P energy: -119.574 bonds (distance) P-C4' energy: -123.796 flat angles C4'-P-C4' energy: -128.354 flat angles P-C4'-P energy: -79.442 tors. eta vs tors. theta energy: -150.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1763.653650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.653650 (E_RNA) where: Base-Base interactions energy: -1196.490 where: short stacking energy: -526.053 Base-Backbone interact. energy: 1.182 local terms energy: -568.345547 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -131.209 flat angles C4'-P-C4' energy: -114.539 flat angles P-C4'-P energy: -83.475 tors. eta vs tors. theta energy: -126.990 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: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1575.695660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.695660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.695660 (E_RNA) where: Base-Base interactions energy: -1075.778 where: short stacking energy: -462.251 Base-Backbone interact. energy: -2.805 local terms energy: -497.113237 where: bonds (distance) C4'-P energy: -99.887 bonds (distance) P-C4' energy: -111.919 flat angles C4'-P-C4' energy: -112.051 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -94.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1297.299469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.299469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.299469 (E_RNA) where: Base-Base interactions energy: -872.517 where: short stacking energy: -399.531 Base-Backbone interact. energy: -0.481 local terms energy: -424.302084 where: bonds (distance) C4'-P energy: -81.494 bonds (distance) P-C4' energy: -119.749 flat angles C4'-P-C4' energy: -108.025 flat angles P-C4'-P energy: -62.221 tors. eta vs tors. theta energy: -52.814 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: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1321.850874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.850874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.850874 (E_RNA) where: Base-Base interactions energy: -853.948 where: short stacking energy: -387.513 Base-Backbone interact. energy: -2.480 local terms energy: -465.423209 where: bonds (distance) C4'-P energy: -101.038 bonds (distance) P-C4' energy: -112.072 flat angles C4'-P-C4' energy: -121.688 flat angles P-C4'-P energy: -75.002 tors. eta vs tors. theta energy: -55.624 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: 182 Temperature: 0.900000 Total energy: -2515.717918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.717918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.717918 (E_RNA) where: Base-Base interactions energy: -1784.708 where: short stacking energy: -735.640 Base-Backbone interact. energy: -3.154 local terms energy: -727.856563 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -132.809 flat angles C4'-P-C4' energy: -161.540 flat angles P-C4'-P energy: -118.620 tors. eta vs tors. theta energy: -200.360 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: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2433.188213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.188213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.188213 (E_RNA) where: Base-Base interactions energy: -1699.870 where: short stacking energy: -738.428 Base-Backbone interact. energy: -2.437 local terms energy: -730.881207 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -130.846 flat angles C4'-P-C4' energy: -161.054 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: -206.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2268.522235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.522235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.522235 (E_RNA) where: Base-Base interactions energy: -1577.750 where: short stacking energy: -682.600 Base-Backbone interact. energy: 2.273 local terms energy: -693.045172 where: bonds (distance) C4'-P energy: -121.489 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -106.905 tors. eta vs tors. theta energy: -183.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2238.522448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.522448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.522448 (E_RNA) where: Base-Base interactions energy: -1569.012 where: short stacking energy: -661.897 Base-Backbone interact. energy: 2.930 local terms energy: -672.440281 where: bonds (distance) C4'-P energy: -118.599 bonds (distance) P-C4' energy: -145.459 flat angles C4'-P-C4' energy: -142.817 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -168.147 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: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2064.378360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.378360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.378360 (E_RNA) where: Base-Base interactions energy: -1466.491 where: short stacking energy: -645.142 Base-Backbone interact. energy: -0.812 local terms energy: -597.074877 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -139.645 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -152.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1984.444983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.444983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.444983 (E_RNA) where: Base-Base interactions energy: -1394.811 where: short stacking energy: -588.401 Base-Backbone interact. energy: -1.635 local terms energy: -587.999625 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -119.044 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -72.541 tors. eta vs tors. theta energy: -137.506 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: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1709.404463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.404463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.404463 (E_RNA) where: Base-Base interactions energy: -1126.132 where: short stacking energy: -475.022 Base-Backbone interact. energy: -3.723 local terms energy: -579.549769 where: bonds (distance) C4'-P energy: -119.478 bonds (distance) P-C4' energy: -115.648 flat angles C4'-P-C4' energy: -140.325 flat angles P-C4'-P energy: -85.356 tors. eta vs tors. theta energy: -118.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1550.846751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.846751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.846751 (E_RNA) where: Base-Base interactions energy: -1020.586 where: short stacking energy: -457.254 Base-Backbone interact. energy: -2.861 local terms energy: -527.400432 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -120.901 flat angles C4'-P-C4' energy: -128.520 flat angles P-C4'-P energy: -84.847 tors. eta vs tors. theta energy: -89.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1417.580761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.580761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.580761 (E_RNA) where: Base-Base interactions energy: -931.573 where: short stacking energy: -408.943 Base-Backbone interact. energy: 1.615 local terms energy: -487.622621 where: bonds (distance) C4'-P energy: -109.848 bonds (distance) P-C4' energy: -117.104 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -61.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1195.865981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.865981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.865981 (E_RNA) where: Base-Base interactions energy: -791.679 where: short stacking energy: -368.760 Base-Backbone interact. energy: 4.482 local terms energy: -408.669829 where: bonds (distance) C4'-P energy: -102.860 bonds (distance) P-C4' energy: -108.417 flat angles C4'-P-C4' energy: -90.018 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -51.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2521.254709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.254709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.254709 (E_RNA) where: Base-Base interactions energy: -1770.665 where: short stacking energy: -744.218 Base-Backbone interact. energy: -1.389 local terms energy: -749.200846 where: bonds (distance) C4'-P energy: -139.568 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -161.680 flat angles P-C4'-P energy: -106.781 tors. eta vs tors. theta energy: -195.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2423.158735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.158735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.158735 (E_RNA) where: Base-Base interactions energy: -1687.155 where: short stacking energy: -727.592 Base-Backbone interact. energy: 1.598 local terms energy: -737.601506 where: bonds (distance) C4'-P energy: -128.669 bonds (distance) P-C4' energy: -143.718 flat angles C4'-P-C4' energy: -149.369 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -209.184 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: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2244.564584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.564584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.564584 (E_RNA) where: Base-Base interactions energy: -1583.641 where: short stacking energy: -693.289 Base-Backbone interact. energy: -1.752 local terms energy: -659.171122 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -151.378 flat angles P-C4'-P energy: -86.288 tors. eta vs tors. theta energy: -183.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2245.023323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.023323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.023323 (E_RNA) where: Base-Base interactions energy: -1562.529 where: short stacking energy: -650.367 Base-Backbone interact. energy: 0.985 local terms energy: -683.479537 where: bonds (distance) C4'-P energy: -128.957 bonds (distance) P-C4' energy: -130.004 flat angles C4'-P-C4' energy: -146.743 flat angles P-C4'-P energy: -99.458 tors. eta vs tors. theta energy: -178.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2131.818637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.818637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.818637 (E_RNA) where: Base-Base interactions energy: -1457.312 where: short stacking energy: -646.275 Base-Backbone interact. energy: -4.694 local terms energy: -669.813225 where: bonds (distance) C4'-P energy: -130.748 bonds (distance) P-C4' energy: -131.837 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -97.711 tors. eta vs tors. theta energy: -165.315 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: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1962.821354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.821354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.821354 (E_RNA) where: Base-Base interactions energy: -1378.762 where: short stacking energy: -619.262 Base-Backbone interact. energy: -4.591 local terms energy: -579.468949 where: bonds (distance) C4'-P energy: -111.195 bonds (distance) P-C4' energy: -117.751 flat angles C4'-P-C4' energy: -129.987 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -146.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1688.137128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.137128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.137128 (E_RNA) where: Base-Base interactions energy: -1124.174 where: short stacking energy: -502.157 Base-Backbone interact. energy: 2.604 local terms energy: -566.567180 where: bonds (distance) C4'-P energy: -106.588 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -127.721 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -113.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1472.071517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.071517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.071517 (E_RNA) where: Base-Base interactions energy: -971.438 where: short stacking energy: -466.175 Base-Backbone interact. energy: -0.690 local terms energy: -499.943452 where: bonds (distance) C4'-P energy: -121.696 bonds (distance) P-C4' energy: -118.670 flat angles C4'-P-C4' energy: -120.113 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -80.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1452.481061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.481061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.481061 (E_RNA) where: Base-Base interactions energy: -983.360 where: short stacking energy: -438.464 Base-Backbone interact. energy: 0.996 local terms energy: -470.117076 where: bonds (distance) C4'-P energy: -98.483 bonds (distance) P-C4' energy: -107.095 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -83.172 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: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1194.127614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.127614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.127614 (E_RNA) where: Base-Base interactions energy: -779.660 where: short stacking energy: -366.194 Base-Backbone interact. energy: -1.483 local terms energy: -412.985069 where: bonds (distance) C4'-P energy: -98.544 bonds (distance) P-C4' energy: -108.461 flat angles C4'-P-C4' energy: -98.378 flat angles P-C4'-P energy: -55.128 tors. eta vs tors. theta energy: -52.474 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: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2519.805725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.805725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.805725 (E_RNA) where: Base-Base interactions energy: -1763.290 where: short stacking energy: -774.092 Base-Backbone interact. energy: -1.751 local terms energy: -754.765497 where: bonds (distance) C4'-P energy: -127.609 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -169.898 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -213.689 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: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2425.366821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.366821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.366821 (E_RNA) where: Base-Base interactions energy: -1726.388 where: short stacking energy: -715.480 Base-Backbone interact. energy: -3.745 local terms energy: -695.233793 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -124.879 flat angles C4'-P-C4' energy: -140.847 flat angles P-C4'-P energy: -101.814 tors. eta vs tors. theta energy: -193.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2289.937061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.937061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.937061 (E_RNA) where: Base-Base interactions energy: -1579.985 where: short stacking energy: -687.155 Base-Backbone interact. energy: -1.140 local terms energy: -708.812506 where: bonds (distance) C4'-P energy: -124.108 bonds (distance) P-C4' energy: -133.839 flat angles C4'-P-C4' energy: -157.341 flat angles P-C4'-P energy: -103.123 tors. eta vs tors. theta energy: -190.401 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: 184 Temperature: 1.050000 Total energy: -2199.661744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.661744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.661744 (E_RNA) where: Base-Base interactions energy: -1528.089 where: short stacking energy: -667.398 Base-Backbone interact. energy: -2.311 local terms energy: -669.261932 where: bonds (distance) C4'-P energy: -120.212 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -145.346 flat angles P-C4'-P energy: -106.545 tors. eta vs tors. theta energy: -178.576 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: 184 Temperature: 1.100000 Total energy: -2068.627942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.627942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.627942 (E_RNA) where: Base-Base interactions energy: -1435.260 where: short stacking energy: -603.629 Base-Backbone interact. energy: -2.767 local terms energy: -630.601375 where: bonds (distance) C4'-P energy: -120.272 bonds (distance) P-C4' energy: -122.185 flat angles C4'-P-C4' energy: -145.698 flat angles P-C4'-P energy: -101.893 tors. eta vs tors. theta energy: -140.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1995.859145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.859145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.859145 (E_RNA) where: Base-Base interactions energy: -1356.055 where: short stacking energy: -600.660 Base-Backbone interact. energy: -2.704 local terms energy: -637.100654 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -130.080 flat angles C4'-P-C4' energy: -140.183 flat angles P-C4'-P energy: -81.223 tors. eta vs tors. theta energy: -166.220 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: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1696.666872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.666872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.666872 (E_RNA) where: Base-Base interactions energy: -1138.236 where: short stacking energy: -491.922 Base-Backbone interact. energy: -2.569 local terms energy: -555.862444 where: bonds (distance) C4'-P energy: -140.176 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -110.363 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -110.322 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: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1445.087958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.087958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.087958 (E_RNA) where: Base-Base interactions energy: -943.732 where: short stacking energy: -446.247 Base-Backbone interact. energy: -1.617 local terms energy: -499.739842 where: bonds (distance) C4'-P energy: -116.901 bonds (distance) P-C4' energy: -89.598 flat angles C4'-P-C4' energy: -117.836 flat angles P-C4'-P energy: -82.461 tors. eta vs tors. theta energy: -92.944 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: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1482.666833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.666833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.666833 (E_RNA) where: Base-Base interactions energy: -980.260 where: short stacking energy: -416.612 Base-Backbone interact. energy: -4.822 local terms energy: -497.585113 where: bonds (distance) C4'-P energy: -104.718 bonds (distance) P-C4' energy: -112.912 flat angles C4'-P-C4' energy: -127.197 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -78.259 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: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1255.984481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.984481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.984481 (E_RNA) where: Base-Base interactions energy: -814.073 where: short stacking energy: -375.098 Base-Backbone interact. energy: 10.356 local terms energy: -452.267470 where: bonds (distance) C4'-P energy: -90.105 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -116.925 flat angles P-C4'-P energy: -76.869 tors. eta vs tors. theta energy: -66.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2511.971877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.971877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.971877 (E_RNA) where: Base-Base interactions energy: -1747.923 where: short stacking energy: -783.449 Base-Backbone interact. energy: -4.481 local terms energy: -759.568383 where: bonds (distance) C4'-P energy: -135.024 bonds (distance) P-C4' energy: -135.656 flat angles C4'-P-C4' energy: -163.873 flat angles P-C4'-P energy: -102.382 tors. eta vs tors. theta energy: -222.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2467.989252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.989252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.989252 (E_RNA) where: Base-Base interactions energy: -1777.997 where: short stacking energy: -727.678 Base-Backbone interact. energy: 4.140 local terms energy: -694.133090 where: bonds (distance) C4'-P energy: -138.445 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -165.274 flat angles P-C4'-P energy: -76.369 tors. eta vs tors. theta energy: -186.175 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: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2339.426896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.426896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.426896 (E_RNA) where: Base-Base interactions energy: -1615.503 where: short stacking energy: -728.875 Base-Backbone interact. energy: -1.743 local terms energy: -722.180844 where: bonds (distance) C4'-P energy: -127.206 bonds (distance) P-C4' energy: -144.978 flat angles C4'-P-C4' energy: -144.276 flat angles P-C4'-P energy: -111.637 tors. eta vs tors. theta energy: -194.084 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: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2207.855573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.855573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.855573 (E_RNA) where: Base-Base interactions energy: -1546.600 where: short stacking energy: -688.261 Base-Backbone interact. energy: 1.620 local terms energy: -662.875725 where: bonds (distance) C4'-P energy: -129.045 bonds (distance) P-C4' energy: -124.584 flat angles C4'-P-C4' energy: -143.466 flat angles P-C4'-P energy: -80.072 tors. eta vs tors. theta energy: -185.708 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: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2087.737784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.737784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.737784 (E_RNA) where: Base-Base interactions energy: -1441.303 where: short stacking energy: -640.988 Base-Backbone interact. energy: 6.120 local terms energy: -652.554459 where: bonds (distance) C4'-P energy: -129.163 bonds (distance) P-C4' energy: -114.826 flat angles C4'-P-C4' energy: -139.919 flat angles P-C4'-P energy: -91.202 tors. eta vs tors. theta energy: -177.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2012.712981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.712981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.712981 (E_RNA) where: Base-Base interactions energy: -1353.630 where: short stacking energy: -598.720 Base-Backbone interact. energy: -0.933 local terms energy: -658.150068 where: bonds (distance) C4'-P energy: -114.713 bonds (distance) P-C4' energy: -131.377 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -87.025 tors. eta vs tors. theta energy: -173.630 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: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1652.798322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.798322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.798322 (E_RNA) where: Base-Base interactions energy: -1111.804 where: short stacking energy: -451.887 Base-Backbone interact. energy: 1.961 local terms energy: -542.954787 where: bonds (distance) C4'-P energy: -116.704 bonds (distance) P-C4' energy: -120.089 flat angles C4'-P-C4' energy: -145.358 flat angles P-C4'-P energy: -74.545 tors. eta vs tors. theta energy: -86.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1582.787279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.787279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.787279 (E_RNA) where: Base-Base interactions energy: -1075.791 where: short stacking energy: -476.924 Base-Backbone interact. energy: 1.372 local terms energy: -508.368939 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -93.012 flat angles C4'-P-C4' energy: -138.396 flat angles P-C4'-P energy: -68.051 tors. eta vs tors. theta energy: -97.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1372.150078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.150078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.150078 (E_RNA) where: Base-Base interactions energy: -903.889 where: short stacking energy: -411.639 Base-Backbone interact. energy: 0.402 local terms energy: -468.662868 where: bonds (distance) C4'-P energy: -120.384 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -63.881 tors. eta vs tors. theta energy: -63.014 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: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1245.496619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.496619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.496619 (E_RNA) where: Base-Base interactions energy: -810.719 where: short stacking energy: -355.912 Base-Backbone interact. energy: 2.288 local terms energy: -437.065883 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -104.907 flat angles C4'-P-C4' energy: -127.227 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -54.072 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: 1, replica: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2493.814234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.814234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.814234 (E_RNA) where: Base-Base interactions energy: -1767.797 where: short stacking energy: -709.143 Base-Backbone interact. energy: -5.816 local terms energy: -720.201067 where: bonds (distance) C4'-P energy: -134.566 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -149.527 flat angles P-C4'-P energy: -97.380 tors. eta vs tors. theta energy: -199.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2411.415615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.415615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.415615 (E_RNA) where: Base-Base interactions energy: -1697.319 where: short stacking energy: -737.281 Base-Backbone interact. energy: 0.683 local terms energy: -714.779173 where: bonds (distance) C4'-P energy: -126.118 bonds (distance) P-C4' energy: -131.206 flat angles C4'-P-C4' energy: -153.185 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -210.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2335.620432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.620432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.620432 (E_RNA) where: Base-Base interactions energy: -1653.643 where: short stacking energy: -716.172 Base-Backbone interact. energy: -3.536 local terms energy: -678.441691 where: bonds (distance) C4'-P energy: -127.178 bonds (distance) P-C4' energy: -119.570 flat angles C4'-P-C4' energy: -155.593 flat angles P-C4'-P energy: -93.035 tors. eta vs tors. theta energy: -183.064 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: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2169.954243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.954243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.954243 (E_RNA) where: Base-Base interactions energy: -1508.626 where: short stacking energy: -674.062 Base-Backbone interact. energy: 0.364 local terms energy: -661.692218 where: bonds (distance) C4'-P energy: -111.783 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -143.336 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -172.071 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: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2082.953879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.953879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.953879 (E_RNA) where: Base-Base interactions energy: -1431.389 where: short stacking energy: -607.101 Base-Backbone interact. energy: -0.150 local terms energy: -651.415586 where: bonds (distance) C4'-P energy: -137.561 bonds (distance) P-C4' energy: -113.701 flat angles C4'-P-C4' energy: -145.231 flat angles P-C4'-P energy: -101.329 tors. eta vs tors. theta energy: -153.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2028.451044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.451044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.451044 (E_RNA) where: Base-Base interactions energy: -1412.142 where: short stacking energy: -624.508 Base-Backbone interact. energy: 0.164 local terms energy: -616.472926 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -120.022 flat angles C4'-P-C4' energy: -138.403 flat angles P-C4'-P energy: -93.374 tors. eta vs tors. theta energy: -156.400 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: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1638.800267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.800267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.800267 (E_RNA) where: Base-Base interactions energy: -1120.290 where: short stacking energy: -480.606 Base-Backbone interact. energy: -4.280 local terms energy: -514.230226 where: bonds (distance) C4'-P energy: -122.401 bonds (distance) P-C4' energy: -112.594 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -74.281 tors. eta vs tors. theta energy: -97.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1638.814690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.814690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.814690 (E_RNA) where: Base-Base interactions energy: -1120.574 where: short stacking energy: -494.740 Base-Backbone interact. energy: -0.459 local terms energy: -517.781834 where: bonds (distance) C4'-P energy: -98.420 bonds (distance) P-C4' energy: -130.064 flat angles C4'-P-C4' energy: -131.586 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -100.666 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1344.096566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.096566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.096566 (E_RNA) where: Base-Base interactions energy: -885.230 where: short stacking energy: -399.561 Base-Backbone interact. energy: 2.928 local terms energy: -461.794498 where: bonds (distance) C4'-P energy: -91.753 bonds (distance) P-C4' energy: -110.715 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -72.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1130.919064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.919064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.919064 (E_RNA) where: Base-Base interactions energy: -722.515 where: short stacking energy: -309.692 Base-Backbone interact. energy: -2.669 local terms energy: -405.734685 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -83.445 flat angles C4'-P-C4' energy: -112.128 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -33.407 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: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2513.024496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.024496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.024496 (E_RNA) where: Base-Base interactions energy: -1781.860 where: short stacking energy: -719.805 Base-Backbone interact. energy: -2.610 local terms energy: -728.554724 where: bonds (distance) C4'-P energy: -134.723 bonds (distance) P-C4' energy: -130.597 flat angles C4'-P-C4' energy: -162.605 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -200.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2388.312424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.312424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.312424 (E_RNA) where: Base-Base interactions energy: -1659.993 where: short stacking energy: -725.218 Base-Backbone interact. energy: 1.168 local terms energy: -729.487870 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -128.616 flat angles C4'-P-C4' energy: -154.300 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -207.337 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: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2317.227138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.227138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.227138 (E_RNA) where: Base-Base interactions energy: -1614.076 where: short stacking energy: -715.463 Base-Backbone interact. energy: -0.536 local terms energy: -702.615259 where: bonds (distance) C4'-P energy: -123.727 bonds (distance) P-C4' energy: -141.724 flat angles C4'-P-C4' energy: -154.974 flat angles P-C4'-P energy: -88.392 tors. eta vs tors. theta energy: -193.798 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: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2168.613931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.613931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.613931 (E_RNA) where: Base-Base interactions energy: -1503.582 where: short stacking energy: -657.364 Base-Backbone interact. energy: -3.487 local terms energy: -661.545056 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -127.057 flat angles C4'-P-C4' energy: -140.275 flat angles P-C4'-P energy: -92.056 tors. eta vs tors. theta energy: -185.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2066.605839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.605839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.605839 (E_RNA) where: Base-Base interactions energy: -1421.112 where: short stacking energy: -608.748 Base-Backbone interact. energy: 2.070 local terms energy: -647.564349 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -119.493 flat angles C4'-P-C4' energy: -146.684 flat angles P-C4'-P energy: -83.834 tors. eta vs tors. theta energy: -168.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2058.055405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.055405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.055405 (E_RNA) where: Base-Base interactions energy: -1455.399 where: short stacking energy: -628.840 Base-Backbone interact. energy: -1.770 local terms energy: -600.886371 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -120.936 flat angles C4'-P-C4' energy: -143.083 flat angles P-C4'-P energy: -84.926 tors. eta vs tors. theta energy: -165.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1571.115957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.115957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.115957 (E_RNA) where: Base-Base interactions energy: -1060.706 where: short stacking energy: -463.627 Base-Backbone interact. energy: 0.127 local terms energy: -510.536739 where: bonds (distance) C4'-P energy: -123.629 bonds (distance) P-C4' energy: -119.076 flat angles C4'-P-C4' energy: -113.047 flat angles P-C4'-P energy: -69.593 tors. eta vs tors. theta energy: -85.192 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: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1608.675467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.675467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.675467 (E_RNA) where: Base-Base interactions energy: -1076.733 where: short stacking energy: -466.460 Base-Backbone interact. energy: -2.395 local terms energy: -529.547253 where: bonds (distance) C4'-P energy: -115.778 bonds (distance) P-C4' energy: -120.296 flat angles C4'-P-C4' energy: -142.426 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -92.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1332.552323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.552323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.552323 (E_RNA) where: Base-Base interactions energy: -840.924 where: short stacking energy: -371.084 Base-Backbone interact. energy: -1.655 local terms energy: -489.972595 where: bonds (distance) C4'-P energy: -104.952 bonds (distance) P-C4' energy: -116.078 flat angles C4'-P-C4' energy: -127.825 flat angles P-C4'-P energy: -65.485 tors. eta vs tors. theta energy: -75.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1100.900310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.900310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.900310 (E_RNA) where: Base-Base interactions energy: -688.891 where: short stacking energy: -325.872 Base-Backbone interact. energy: -3.753 local terms energy: -408.256473 where: bonds (distance) C4'-P energy: -108.447 bonds (distance) P-C4' energy: -112.174 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -37.553 tors. eta vs tors. theta energy: -40.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2478.095112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.095112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.095112 (E_RNA) where: Base-Base interactions energy: -1732.721 where: short stacking energy: -745.450 Base-Backbone interact. energy: 2.032 local terms energy: -747.406269 where: bonds (distance) C4'-P energy: -137.738 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -160.663 flat angles P-C4'-P energy: -106.489 tors. eta vs tors. theta energy: -208.998 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2422.824889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.824889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.824889 (E_RNA) where: Base-Base interactions energy: -1692.389 where: short stacking energy: -746.168 Base-Backbone interact. energy: 0.646 local terms energy: -731.082222 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -123.922 flat angles C4'-P-C4' energy: -152.736 flat angles P-C4'-P energy: -104.914 tors. eta vs tors. theta energy: -213.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2354.017532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.017532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.017532 (E_RNA) where: Base-Base interactions energy: -1648.711 where: short stacking energy: -717.906 Base-Backbone interact. energy: -1.047 local terms energy: -704.259312 where: bonds (distance) C4'-P energy: -119.912 bonds (distance) P-C4' energy: -137.463 flat angles C4'-P-C4' energy: -149.950 flat angles P-C4'-P energy: -103.242 tors. eta vs tors. theta energy: -193.693 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: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2193.326964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.326964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.326964 (E_RNA) where: Base-Base interactions energy: -1510.495 where: short stacking energy: -642.637 Base-Backbone interact. energy: -1.773 local terms energy: -681.059683 where: bonds (distance) C4'-P energy: -138.235 bonds (distance) P-C4' energy: -126.064 flat angles C4'-P-C4' energy: -154.592 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -174.266 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: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2096.875998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.875998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.875998 (E_RNA) where: Base-Base interactions energy: -1433.103 where: short stacking energy: -634.186 Base-Backbone interact. energy: -2.801 local terms energy: -660.971401 where: bonds (distance) C4'-P energy: -131.572 bonds (distance) P-C4' energy: -134.060 flat angles C4'-P-C4' energy: -129.455 flat angles P-C4'-P energy: -96.636 tors. eta vs tors. theta energy: -169.249 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: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1999.900032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.900032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.900032 (E_RNA) where: Base-Base interactions energy: -1405.216 where: short stacking energy: -583.378 Base-Backbone interact. energy: -1.489 local terms energy: -593.195021 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -132.578 flat angles P-C4'-P energy: -86.069 tors. eta vs tors. theta energy: -152.159 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: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1657.213152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.213152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.213152 (E_RNA) where: Base-Base interactions energy: -1133.566 where: short stacking energy: -502.920 Base-Backbone interact. energy: -1.148 local terms energy: -522.498601 where: bonds (distance) C4'-P energy: -107.414 bonds (distance) P-C4' energy: -104.890 flat angles C4'-P-C4' energy: -113.877 flat angles P-C4'-P energy: -74.728 tors. eta vs tors. theta energy: -121.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1561.268885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.268885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.268885 (E_RNA) where: Base-Base interactions energy: -1043.062 where: short stacking energy: -436.001 Base-Backbone interact. energy: -4.378 local terms energy: -513.828103 where: bonds (distance) C4'-P energy: -115.570 bonds (distance) P-C4' energy: -117.652 flat angles C4'-P-C4' energy: -113.099 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -95.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1370.636270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.636270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.636270 (E_RNA) where: Base-Base interactions energy: -907.642 where: short stacking energy: -415.781 Base-Backbone interact. energy: 3.290 local terms energy: -466.284515 where: bonds (distance) C4'-P energy: -91.720 bonds (distance) P-C4' energy: -115.014 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: -82.127 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: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1130.170383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.170383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.170383 (E_RNA) where: Base-Base interactions energy: -705.815 where: short stacking energy: -323.506 Base-Backbone interact. energy: 0.459 local terms energy: -424.814508 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -95.424 flat angles P-C4'-P energy: -68.714 tors. eta vs tors. theta energy: -47.586 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: 189 Temperature: 0.900000 Total energy: -2481.526926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.526926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.526926 (E_RNA) where: Base-Base interactions energy: -1778.330 where: short stacking energy: -707.904 Base-Backbone interact. energy: -3.494 local terms energy: -699.703061 where: bonds (distance) C4'-P energy: -134.052 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -149.606 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -181.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2433.057866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.057866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.057866 (E_RNA) where: Base-Base interactions energy: -1697.185 where: short stacking energy: -751.130 Base-Backbone interact. energy: -1.099 local terms energy: -734.773775 where: bonds (distance) C4'-P energy: -118.914 bonds (distance) P-C4' energy: -143.436 flat angles C4'-P-C4' energy: -156.161 flat angles P-C4'-P energy: -103.350 tors. eta vs tors. theta energy: -212.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2304.371181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.371181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.371181 (E_RNA) where: Base-Base interactions energy: -1602.980 where: short stacking energy: -715.951 Base-Backbone interact. energy: -2.763 local terms energy: -698.627499 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -135.000 flat angles C4'-P-C4' energy: -135.562 flat angles P-C4'-P energy: -102.245 tors. eta vs tors. theta energy: -202.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2180.440788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.440788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.440788 (E_RNA) where: Base-Base interactions energy: -1513.722 where: short stacking energy: -631.752 Base-Backbone interact. energy: 0.346 local terms energy: -667.064259 where: bonds (distance) C4'-P energy: -130.991 bonds (distance) P-C4' energy: -124.548 flat angles C4'-P-C4' energy: -145.819 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -175.909 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: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2130.608241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.608241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.608241 (E_RNA) where: Base-Base interactions energy: -1480.788 where: short stacking energy: -660.196 Base-Backbone interact. energy: -0.905 local terms energy: -648.915344 where: bonds (distance) C4'-P energy: -113.598 bonds (distance) P-C4' energy: -115.299 flat angles C4'-P-C4' energy: -143.373 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -182.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1984.900004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.900004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.900004 (E_RNA) where: Base-Base interactions energy: -1341.006 where: short stacking energy: -578.089 Base-Backbone interact. energy: 2.180 local terms energy: -646.073703 where: bonds (distance) C4'-P energy: -119.316 bonds (distance) P-C4' energy: -130.475 flat angles C4'-P-C4' energy: -148.876 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -153.056 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: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1697.363677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.363677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.363677 (E_RNA) where: Base-Base interactions energy: -1172.886 where: short stacking energy: -519.054 Base-Backbone interact. energy: -0.505 local terms energy: -523.972947 where: bonds (distance) C4'-P energy: -105.238 bonds (distance) P-C4' energy: -104.084 flat angles C4'-P-C4' energy: -119.702 flat angles P-C4'-P energy: -81.551 tors. eta vs tors. theta energy: -113.399 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: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1549.052218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.052218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.052218 (E_RNA) where: Base-Base interactions energy: -1067.761 where: short stacking energy: -442.047 Base-Backbone interact. energy: 2.437 local terms energy: -483.728380 where: bonds (distance) C4'-P energy: -98.958 bonds (distance) P-C4' energy: -120.458 flat angles C4'-P-C4' energy: -101.591 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -92.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1342.639862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.639862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.639862 (E_RNA) where: Base-Base interactions energy: -876.059 where: short stacking energy: -424.804 Base-Backbone interact. energy: -1.347 local terms energy: -465.233147 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -106.671 flat angles C4'-P-C4' energy: -110.286 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -83.041 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1109.448345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.448345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.448345 (E_RNA) where: Base-Base interactions energy: -698.560 where: short stacking energy: -325.738 Base-Backbone interact. energy: -1.520 local terms energy: -409.368448 where: bonds (distance) C4'-P energy: -117.822 bonds (distance) P-C4' energy: -115.796 flat angles C4'-P-C4' energy: -97.537 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -32.739 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: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2486.574751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.574751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.574751 (E_RNA) where: Base-Base interactions energy: -1741.293 where: short stacking energy: -711.877 Base-Backbone interact. energy: 3.708 local terms energy: -748.989170 where: bonds (distance) C4'-P energy: -134.355 bonds (distance) P-C4' energy: -148.298 flat angles C4'-P-C4' energy: -157.543 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -197.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2426.524835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.524835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.524835 (E_RNA) where: Base-Base interactions energy: -1718.530 where: short stacking energy: -737.276 Base-Backbone interact. energy: -1.704 local terms energy: -706.291017 where: bonds (distance) C4'-P energy: -122.926 bonds (distance) P-C4' energy: -126.733 flat angles C4'-P-C4' energy: -160.293 flat angles P-C4'-P energy: -97.737 tors. eta vs tors. theta energy: -198.603 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: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2337.571305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.571305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.571305 (E_RNA) where: Base-Base interactions energy: -1621.672 where: short stacking energy: -719.202 Base-Backbone interact. energy: -0.297 local terms energy: -715.602487 where: bonds (distance) C4'-P energy: -122.487 bonds (distance) P-C4' energy: -137.349 flat angles C4'-P-C4' energy: -155.584 flat angles P-C4'-P energy: -94.315 tors. eta vs tors. theta energy: -205.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2222.305968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.305968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.305968 (E_RNA) where: Base-Base interactions energy: -1532.928 where: short stacking energy: -670.606 Base-Backbone interact. energy: 3.380 local terms energy: -692.758262 where: bonds (distance) C4'-P energy: -120.360 bonds (distance) P-C4' energy: -134.231 flat angles C4'-P-C4' energy: -150.685 flat angles P-C4'-P energy: -101.570 tors. eta vs tors. theta energy: -185.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2119.131017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.131017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.131017 (E_RNA) where: Base-Base interactions energy: -1454.728 where: short stacking energy: -681.435 Base-Backbone interact. energy: -3.350 local terms energy: -661.053330 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -123.442 flat angles C4'-P-C4' energy: -133.620 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -178.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1979.239721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.239721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.239721 (E_RNA) where: Base-Base interactions energy: -1355.154 where: short stacking energy: -570.458 Base-Backbone interact. energy: -2.141 local terms energy: -621.944308 where: bonds (distance) C4'-P energy: -112.673 bonds (distance) P-C4' energy: -130.702 flat angles C4'-P-C4' energy: -134.316 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -163.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1737.238587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.238587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.238587 (E_RNA) where: Base-Base interactions energy: -1196.338 where: short stacking energy: -528.814 Base-Backbone interact. energy: 2.044 local terms energy: -542.944138 where: bonds (distance) C4'-P energy: -101.895 bonds (distance) P-C4' energy: -109.068 flat angles C4'-P-C4' energy: -129.955 flat angles P-C4'-P energy: -81.437 tors. eta vs tors. theta energy: -120.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1544.534818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.534818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.534818 (E_RNA) where: Base-Base interactions energy: -1030.154 where: short stacking energy: -441.503 Base-Backbone interact. energy: -0.017 local terms energy: -514.363083 where: bonds (distance) C4'-P energy: -105.674 bonds (distance) P-C4' energy: -119.239 flat angles C4'-P-C4' energy: -110.425 flat angles P-C4'-P energy: -89.251 tors. eta vs tors. theta energy: -89.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1467.841750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.841750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.841750 (E_RNA) where: Base-Base interactions energy: -975.665 where: short stacking energy: -423.539 Base-Backbone interact. energy: 0.541 local terms energy: -492.717613 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -117.275 flat angles C4'-P-C4' energy: -114.187 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -89.028 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: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1182.172497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.172497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.172497 (E_RNA) where: Base-Base interactions energy: -753.222 where: short stacking energy: -335.996 Base-Backbone interact. energy: 5.284 local terms energy: -434.234291 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -83.856 flat angles C4'-P-C4' energy: -112.953 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -36.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2498.590990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.590990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.590990 (E_RNA) where: Base-Base interactions energy: -1770.809 where: short stacking energy: -738.153 Base-Backbone interact. energy: -3.923 local terms energy: -723.858678 where: bonds (distance) C4'-P energy: -140.071 bonds (distance) P-C4' energy: -130.661 flat angles C4'-P-C4' energy: -155.379 flat angles P-C4'-P energy: -101.768 tors. eta vs tors. theta energy: -195.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2421.039275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.039275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.039275 (E_RNA) where: Base-Base interactions energy: -1702.637 where: short stacking energy: -739.037 Base-Backbone interact. energy: 0.962 local terms energy: -719.363544 where: bonds (distance) C4'-P energy: -129.982 bonds (distance) P-C4' energy: -138.108 flat angles C4'-P-C4' energy: -147.990 flat angles P-C4'-P energy: -105.112 tors. eta vs tors. theta energy: -198.171 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: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2364.154201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.154201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.154201 (E_RNA) where: Base-Base interactions energy: -1653.350 where: short stacking energy: -722.776 Base-Backbone interact. energy: -2.557 local terms energy: -708.247735 where: bonds (distance) C4'-P energy: -116.086 bonds (distance) P-C4' energy: -138.566 flat angles C4'-P-C4' energy: -155.987 flat angles P-C4'-P energy: -93.075 tors. eta vs tors. theta energy: -204.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2250.003804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.003804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.003804 (E_RNA) where: Base-Base interactions energy: -1542.014 where: short stacking energy: -695.199 Base-Backbone interact. energy: 0.925 local terms energy: -708.915466 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -134.097 flat angles C4'-P-C4' energy: -155.022 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -193.439 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: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2070.129667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.129667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.129667 (E_RNA) where: Base-Base interactions energy: -1445.296 where: short stacking energy: -625.679 Base-Backbone interact. energy: -4.254 local terms energy: -620.579911 where: bonds (distance) C4'-P energy: -110.711 bonds (distance) P-C4' energy: -116.592 flat angles C4'-P-C4' energy: -139.643 flat angles P-C4'-P energy: -86.774 tors. eta vs tors. theta energy: -166.860 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: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2019.888162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.888162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.888162 (E_RNA) where: Base-Base interactions energy: -1388.618 where: short stacking energy: -611.161 Base-Backbone interact. energy: -0.871 local terms energy: -630.399263 where: bonds (distance) C4'-P energy: -126.512 bonds (distance) P-C4' energy: -109.132 flat angles C4'-P-C4' energy: -136.077 flat angles P-C4'-P energy: -92.926 tors. eta vs tors. theta energy: -165.751 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: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1811.762559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.762559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.762559 (E_RNA) where: Base-Base interactions energy: -1283.345 where: short stacking energy: -562.189 Base-Backbone interact. energy: 0.877 local terms energy: -529.294323 where: bonds (distance) C4'-P energy: -102.933 bonds (distance) P-C4' energy: -108.140 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -129.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1526.992366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.992366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.992366 (E_RNA) where: Base-Base interactions energy: -1019.980 where: short stacking energy: -472.705 Base-Backbone interact. energy: 3.736 local terms energy: -510.747981 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -69.275 tors. eta vs tors. theta energy: -88.220 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: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1442.377789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.377789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.377789 (E_RNA) where: Base-Base interactions energy: -966.869 where: short stacking energy: -402.425 Base-Backbone interact. energy: -1.700 local terms energy: -473.808409 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -108.647 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -71.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1076.419636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.419636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.419636 (E_RNA) where: Base-Base interactions energy: -692.996 where: short stacking energy: -313.294 Base-Backbone interact. energy: -3.110 local terms energy: -380.314074 where: bonds (distance) C4'-P energy: -86.519 bonds (distance) P-C4' energy: -114.758 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -63.542 tors. eta vs tors. theta energy: -33.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2502.076949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.076949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.076949 (E_RNA) where: Base-Base interactions energy: -1761.675 where: short stacking energy: -743.107 Base-Backbone interact. energy: -2.297 local terms energy: -738.104841 where: bonds (distance) C4'-P energy: -130.254 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -171.314 flat angles P-C4'-P energy: -98.575 tors. eta vs tors. theta energy: -197.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2382.817887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.817887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.817887 (E_RNA) where: Base-Base interactions energy: -1645.230 where: short stacking energy: -726.413 Base-Backbone interact. energy: -3.597 local terms energy: -733.990257 where: bonds (distance) C4'-P energy: -141.541 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -155.734 flat angles P-C4'-P energy: -100.378 tors. eta vs tors. theta energy: -202.458 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: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2345.633530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.633530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.633530 (E_RNA) where: Base-Base interactions energy: -1645.732 where: short stacking energy: -698.643 Base-Backbone interact. energy: -2.264 local terms energy: -697.637875 where: bonds (distance) C4'-P energy: -124.248 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -151.358 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -185.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2215.817435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.817435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.817435 (E_RNA) where: Base-Base interactions energy: -1522.706 where: short stacking energy: -663.278 Base-Backbone interact. energy: -2.784 local terms energy: -690.327251 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -131.238 flat angles C4'-P-C4' energy: -152.008 flat angles P-C4'-P energy: -103.888 tors. eta vs tors. theta energy: -175.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2043.935809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.935809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.935809 (E_RNA) where: Base-Base interactions energy: -1429.782 where: short stacking energy: -604.367 Base-Backbone interact. energy: -2.221 local terms energy: -611.932674 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -110.451 flat angles C4'-P-C4' energy: -139.694 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -160.694 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: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2052.149060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.149060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.149060 (E_RNA) where: Base-Base interactions energy: -1461.888 where: short stacking energy: -637.161 Base-Backbone interact. energy: -5.006 local terms energy: -585.254317 where: bonds (distance) C4'-P energy: -86.010 bonds (distance) P-C4' energy: -116.577 flat angles C4'-P-C4' energy: -151.067 flat angles P-C4'-P energy: -71.888 tors. eta vs tors. theta energy: -159.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1861.774755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.774755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.774755 (E_RNA) where: Base-Base interactions energy: -1282.003 where: short stacking energy: -565.184 Base-Backbone interact. energy: 1.496 local terms energy: -581.267135 where: bonds (distance) C4'-P energy: -100.350 bonds (distance) P-C4' energy: -119.147 flat angles C4'-P-C4' energy: -142.793 flat angles P-C4'-P energy: -80.943 tors. eta vs tors. theta energy: -138.034 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: 192 Temperature: 1.250000 Total energy: -1569.323809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.323809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.323809 (E_RNA) where: Base-Base interactions energy: -1046.028 where: short stacking energy: -472.123 Base-Backbone interact. energy: -0.392 local terms energy: -522.904137 where: bonds (distance) C4'-P energy: -91.357 bonds (distance) P-C4' energy: -120.788 flat angles C4'-P-C4' energy: -128.402 flat angles P-C4'-P energy: -86.587 tors. eta vs tors. theta energy: -95.769 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: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1424.896285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.896285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.896285 (E_RNA) where: Base-Base interactions energy: -966.537 where: short stacking energy: -407.718 Base-Backbone interact. energy: -0.249 local terms energy: -458.110480 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -122.554 flat angles C4'-P-C4' energy: -102.402 flat angles P-C4'-P energy: -56.500 tors. eta vs tors. theta energy: -81.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1070.773914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.773914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.773914 (E_RNA) where: Base-Base interactions energy: -667.533 where: short stacking energy: -300.786 Base-Backbone interact. energy: -0.667 local terms energy: -402.573087 where: bonds (distance) C4'-P energy: -92.293 bonds (distance) P-C4' energy: -117.739 flat angles C4'-P-C4' energy: -107.308 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: -24.954 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: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2465.354512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.354512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.354512 (E_RNA) where: Base-Base interactions energy: -1726.186 where: short stacking energy: -746.568 Base-Backbone interact. energy: -5.272 local terms energy: -733.897014 where: bonds (distance) C4'-P energy: -141.897 bonds (distance) P-C4' energy: -143.803 flat angles C4'-P-C4' energy: -148.750 flat angles P-C4'-P energy: -103.229 tors. eta vs tors. theta energy: -196.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2428.141344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.141344 (E_RNA) where: Base-Base interactions energy: -1702.500 where: short stacking energy: -745.073 Base-Backbone interact. energy: -3.018 local terms energy: -722.622926 where: bonds (distance) C4'-P energy: -139.686 bonds (distance) P-C4' energy: -120.660 flat angles C4'-P-C4' energy: -152.829 flat angles P-C4'-P energy: -106.648 tors. eta vs tors. theta energy: -202.800 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: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2366.089174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.089174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.089174 (E_RNA) where: Base-Base interactions energy: -1647.741 where: short stacking energy: -710.893 Base-Backbone interact. energy: -4.896 local terms energy: -713.451679 where: bonds (distance) C4'-P energy: -119.499 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -151.269 flat angles P-C4'-P energy: -105.050 tors. eta vs tors. theta energy: -189.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2220.728463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.728463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.728463 (E_RNA) where: Base-Base interactions energy: -1550.153 where: short stacking energy: -688.255 Base-Backbone interact. energy: -5.894 local terms energy: -664.681468 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -129.839 flat angles C4'-P-C4' energy: -140.006 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -177.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2028.865807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.865807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.865807 (E_RNA) where: Base-Base interactions energy: -1403.729 where: short stacking energy: -624.142 Base-Backbone interact. energy: 0.374 local terms energy: -625.510562 where: bonds (distance) C4'-P energy: -122.190 bonds (distance) P-C4' energy: -116.816 flat angles C4'-P-C4' energy: -144.918 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -154.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2031.760481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.760481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.760481 (E_RNA) where: Base-Base interactions energy: -1426.295 where: short stacking energy: -609.345 Base-Backbone interact. energy: 0.527 local terms energy: -606.741050 where: bonds (distance) C4'-P energy: -123.683 bonds (distance) P-C4' energy: -110.218 flat angles C4'-P-C4' energy: -136.141 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -158.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.749 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1842.267541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.267541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.267541 (E_RNA) where: Base-Base interactions energy: -1276.923 where: short stacking energy: -551.331 Base-Backbone interact. energy: -0.510 local terms energy: -564.834044 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -115.330 flat angles C4'-P-C4' energy: -113.768 flat angles P-C4'-P energy: -74.289 tors. eta vs tors. theta energy: -131.990 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: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1599.488941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.488941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.488941 (E_RNA) where: Base-Base interactions energy: -1083.657 where: short stacking energy: -490.464 Base-Backbone interact. energy: 3.368 local terms energy: -519.199591 where: bonds (distance) C4'-P energy: -116.187 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -129.141 flat angles P-C4'-P energy: -73.024 tors. eta vs tors. theta energy: -102.930 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: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1399.811483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.811483 (E_RNA) where: Base-Base interactions energy: -894.978 where: short stacking energy: -386.001 Base-Backbone interact. energy: 2.042 local terms energy: -506.875441 where: bonds (distance) C4'-P energy: -132.894 bonds (distance) P-C4' energy: -128.928 flat angles C4'-P-C4' energy: -106.785 flat angles P-C4'-P energy: -65.782 tors. eta vs tors. theta energy: -72.486 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: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1136.621498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.621498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.621498 (E_RNA) where: Base-Base interactions energy: -725.111 where: short stacking energy: -333.519 Base-Backbone interact. energy: -0.938 local terms energy: -410.572541 where: bonds (distance) C4'-P energy: -94.851 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -117.178 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: -41.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2485.823519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.823519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.823519 (E_RNA) where: Base-Base interactions energy: -1754.638 where: short stacking energy: -725.669 Base-Backbone interact. energy: -2.172 local terms energy: -729.013473 where: bonds (distance) C4'-P energy: -134.400 bonds (distance) P-C4' energy: -140.041 flat angles C4'-P-C4' energy: -157.252 flat angles P-C4'-P energy: -100.991 tors. eta vs tors. theta energy: -196.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2384.235814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.235814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.235814 (E_RNA) where: Base-Base interactions energy: -1650.767 where: short stacking energy: -738.663 Base-Backbone interact. energy: -3.112 local terms energy: -730.357190 where: bonds (distance) C4'-P energy: -129.532 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -152.664 flat angles P-C4'-P energy: -113.431 tors. eta vs tors. theta energy: -202.865 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: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2295.194519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.194519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.194519 (E_RNA) where: Base-Base interactions energy: -1606.642 where: short stacking energy: -713.400 Base-Backbone interact. energy: -3.343 local terms energy: -685.209462 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -123.918 flat angles C4'-P-C4' energy: -139.568 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -209.445 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: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2213.311727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.311727 (E_RNA) where: Base-Base interactions energy: -1534.203 where: short stacking energy: -673.906 Base-Backbone interact. energy: -3.697 local terms energy: -675.412005 where: bonds (distance) C4'-P energy: -128.478 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -144.137 flat angles P-C4'-P energy: -88.434 tors. eta vs tors. theta energy: -176.616 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: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2072.171895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.171895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.171895 (E_RNA) where: Base-Base interactions energy: -1424.017 where: short stacking energy: -616.138 Base-Backbone interact. energy: -0.120 local terms energy: -648.035588 where: bonds (distance) C4'-P energy: -120.726 bonds (distance) P-C4' energy: -137.246 flat angles C4'-P-C4' energy: -140.354 flat angles P-C4'-P energy: -87.180 tors. eta vs tors. theta energy: -162.529 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: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2013.729770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.729770 (E_RNA) where: Base-Base interactions energy: -1384.436 where: short stacking energy: -616.243 Base-Backbone interact. energy: -2.805 local terms energy: -626.488452 where: bonds (distance) C4'-P energy: -122.074 bonds (distance) P-C4' energy: -113.081 flat angles C4'-P-C4' energy: -139.850 flat angles P-C4'-P energy: -92.411 tors. eta vs tors. theta energy: -159.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1765.188059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.188059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.188059 (E_RNA) where: Base-Base interactions energy: -1199.075 where: short stacking energy: -514.213 Base-Backbone interact. energy: -0.792 local terms energy: -565.321645 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -116.222 flat angles C4'-P-C4' energy: -128.553 flat angles P-C4'-P energy: -81.170 tors. eta vs tors. theta energy: -135.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1577.091291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.091291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.091291 (E_RNA) where: Base-Base interactions energy: -1043.847 where: short stacking energy: -461.940 Base-Backbone interact. energy: 0.274 local terms energy: -533.518601 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -131.126 flat angles C4'-P-C4' energy: -128.034 flat angles P-C4'-P energy: -73.210 tors. eta vs tors. theta energy: -107.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1292.642252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.642252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.642252 (E_RNA) where: Base-Base interactions energy: -853.224 where: short stacking energy: -370.614 Base-Backbone interact. energy: -2.856 local terms energy: -436.561448 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -110.915 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -57.360 tors. eta vs tors. theta energy: -63.258 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: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1067.104734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.104734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.104734 (E_RNA) where: Base-Base interactions energy: -688.757 where: short stacking energy: -300.108 Base-Backbone interact. energy: -0.320 local terms energy: -378.027540 where: bonds (distance) C4'-P energy: -95.525 bonds (distance) P-C4' energy: -85.573 flat angles C4'-P-C4' energy: -108.968 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -38.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2497.358770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.358770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.358770 (E_RNA) where: Base-Base interactions energy: -1750.803 where: short stacking energy: -719.276 Base-Backbone interact. energy: 6.444 local terms energy: -753.000188 where: bonds (distance) C4'-P energy: -149.495 bonds (distance) P-C4' energy: -150.772 flat angles C4'-P-C4' energy: -161.767 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -194.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2379.064149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.064149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.064149 (E_RNA) where: Base-Base interactions energy: -1654.770 where: short stacking energy: -745.194 Base-Backbone interact. energy: -0.482 local terms energy: -723.812401 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -137.078 flat angles C4'-P-C4' energy: -149.186 flat angles P-C4'-P energy: -111.139 tors. eta vs tors. theta energy: -203.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2336.489157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.489157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.489157 (E_RNA) where: Base-Base interactions energy: -1606.980 where: short stacking energy: -714.459 Base-Backbone interact. energy: -3.468 local terms energy: -726.041237 where: bonds (distance) C4'-P energy: -144.047 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -156.114 flat angles P-C4'-P energy: -96.887 tors. eta vs tors. theta energy: -198.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2211.466167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.466167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.466167 (E_RNA) where: Base-Base interactions energy: -1527.169 where: short stacking energy: -697.920 Base-Backbone interact. energy: -2.992 local terms energy: -681.304777 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -148.735 flat angles P-C4'-P energy: -96.062 tors. eta vs tors. theta energy: -188.851 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: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2062.426314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.426314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.426314 (E_RNA) where: Base-Base interactions energy: -1416.891 where: short stacking energy: -614.017 Base-Backbone interact. energy: -1.097 local terms energy: -644.438303 where: bonds (distance) C4'-P energy: -136.336 bonds (distance) P-C4' energy: -119.203 flat angles C4'-P-C4' energy: -135.756 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -173.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2031.737271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.737271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.737271 (E_RNA) where: Base-Base interactions energy: -1391.160 where: short stacking energy: -620.824 Base-Backbone interact. energy: -3.945 local terms energy: -636.632449 where: bonds (distance) C4'-P energy: -121.203 bonds (distance) P-C4' energy: -120.375 flat angles C4'-P-C4' energy: -139.116 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -167.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1753.777827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.777827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.777827 (E_RNA) where: Base-Base interactions energy: -1189.073 where: short stacking energy: -503.712 Base-Backbone interact. energy: -3.366 local terms energy: -561.338239 where: bonds (distance) C4'-P energy: -103.654 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -126.286 flat angles P-C4'-P energy: -95.886 tors. eta vs tors. theta energy: -108.556 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: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1610.659522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.659522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.659522 (E_RNA) where: Base-Base interactions energy: -1128.213 where: short stacking energy: -472.308 Base-Backbone interact. energy: -3.012 local terms energy: -479.433871 where: bonds (distance) C4'-P energy: -99.875 bonds (distance) P-C4' energy: -102.802 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -107.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1283.663420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.663420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.663420 (E_RNA) where: Base-Base interactions energy: -844.527 where: short stacking energy: -400.883 Base-Backbone interact. energy: -0.646 local terms energy: -438.490098 where: bonds (distance) C4'-P energy: -112.097 bonds (distance) P-C4' energy: -92.522 flat angles C4'-P-C4' energy: -108.802 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -76.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1020.970324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.970324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.970324 (E_RNA) where: Base-Base interactions energy: -632.395 where: short stacking energy: -287.191 Base-Backbone interact. energy: 3.322 local terms energy: -391.896698 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -118.552 flat angles C4'-P-C4' energy: -105.189 flat angles P-C4'-P energy: -58.424 tors. eta vs tors. theta energy: -20.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2459.749372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.749372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.749372 (E_RNA) where: Base-Base interactions energy: -1740.110 where: short stacking energy: -716.795 Base-Backbone interact. energy: 2.489 local terms energy: -722.128257 where: bonds (distance) C4'-P energy: -124.499 bonds (distance) P-C4' energy: -143.730 flat angles C4'-P-C4' energy: -159.375 flat angles P-C4'-P energy: -107.896 tors. eta vs tors. theta energy: -186.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2405.787152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.787152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.787152 (E_RNA) where: Base-Base interactions energy: -1671.789 where: short stacking energy: -725.183 Base-Backbone interact. energy: -0.737 local terms energy: -733.260970 where: bonds (distance) C4'-P energy: -128.872 bonds (distance) P-C4' energy: -139.088 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -207.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2384.949219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.949219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.949219 (E_RNA) where: Base-Base interactions energy: -1657.218 where: short stacking energy: -723.240 Base-Backbone interact. energy: -2.090 local terms energy: -725.641388 where: bonds (distance) C4'-P energy: -137.030 bonds (distance) P-C4' energy: -139.839 flat angles C4'-P-C4' energy: -149.189 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -202.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2189.953365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.953365 (E_RNA) where: Base-Base interactions energy: -1507.005 where: short stacking energy: -655.732 Base-Backbone interact. energy: -1.269 local terms energy: -681.679430 where: bonds (distance) C4'-P energy: -128.484 bonds (distance) P-C4' energy: -135.158 flat angles C4'-P-C4' energy: -144.245 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -179.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2050.518113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.518113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.518113 (E_RNA) where: Base-Base interactions energy: -1419.446 where: short stacking energy: -635.304 Base-Backbone interact. energy: 2.749 local terms energy: -633.820840 where: bonds (distance) C4'-P energy: -116.967 bonds (distance) P-C4' energy: -116.977 flat angles C4'-P-C4' energy: -139.142 flat angles P-C4'-P energy: -89.968 tors. eta vs tors. theta energy: -170.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1994.274534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.274534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.274534 (E_RNA) where: Base-Base interactions energy: -1379.325 where: short stacking energy: -612.134 Base-Backbone interact. energy: -3.019 local terms energy: -611.930130 where: bonds (distance) C4'-P energy: -115.333 bonds (distance) P-C4' energy: -131.133 flat angles C4'-P-C4' energy: -135.211 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -152.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1782.708243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.708243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.708243 (E_RNA) where: Base-Base interactions energy: -1211.927 where: short stacking energy: -498.712 Base-Backbone interact. energy: 1.643 local terms energy: -572.423764 where: bonds (distance) C4'-P energy: -121.777 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -124.628 flat angles P-C4'-P energy: -92.118 tors. eta vs tors. theta energy: -113.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1621.516582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.516582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.516582 (E_RNA) where: Base-Base interactions energy: -1089.199 where: short stacking energy: -485.441 Base-Backbone interact. energy: 0.727 local terms energy: -533.045148 where: bonds (distance) C4'-P energy: -121.334 bonds (distance) P-C4' energy: -114.342 flat angles C4'-P-C4' energy: -117.934 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -113.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1331.185780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.185780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.185780 (E_RNA) where: Base-Base interactions energy: -841.896 where: short stacking energy: -388.869 Base-Backbone interact. energy: 0.295 local terms energy: -489.585085 where: bonds (distance) C4'-P energy: -108.511 bonds (distance) P-C4' energy: -110.699 flat angles C4'-P-C4' energy: -106.146 flat angles P-C4'-P energy: -84.143 tors. eta vs tors. theta energy: -80.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -991.898920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.898920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.898920 (E_RNA) where: Base-Base interactions energy: -614.432 where: short stacking energy: -277.535 Base-Backbone interact. energy: -1.608 local terms energy: -375.859188 where: bonds (distance) C4'-P energy: -106.112 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -97.728 flat angles P-C4'-P energy: -50.642 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2471.638474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.638474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.638474 (E_RNA) where: Base-Base interactions energy: -1742.966 where: short stacking energy: -719.612 Base-Backbone interact. energy: 5.351 local terms energy: -734.023610 where: bonds (distance) C4'-P energy: -133.843 bonds (distance) P-C4' energy: -129.946 flat angles C4'-P-C4' energy: -161.555 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -200.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2404.547065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.547065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.547065 (E_RNA) where: Base-Base interactions energy: -1692.219 where: short stacking energy: -737.359 Base-Backbone interact. energy: -3.702 local terms energy: -708.626556 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -211.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2288.709265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.709265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.709265 (E_RNA) where: Base-Base interactions energy: -1563.994 where: short stacking energy: -701.363 Base-Backbone interact. energy: -4.265 local terms energy: -720.449519 where: bonds (distance) C4'-P energy: -127.712 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -147.067 flat angles P-C4'-P energy: -107.671 tors. eta vs tors. theta energy: -197.471 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: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2234.036244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.036244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.036244 (E_RNA) where: Base-Base interactions energy: -1530.651 where: short stacking energy: -664.407 Base-Backbone interact. energy: -4.146 local terms energy: -700.122162 where: bonds (distance) C4'-P energy: -135.135 bonds (distance) P-C4' energy: -125.722 flat angles C4'-P-C4' energy: -149.386 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -185.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.883 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2078.923444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.923444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.923444 (E_RNA) where: Base-Base interactions energy: -1441.908 where: short stacking energy: -627.416 Base-Backbone interact. energy: 2.306 local terms energy: -639.320988 where: bonds (distance) C4'-P energy: -118.298 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -148.912 flat angles P-C4'-P energy: -80.030 tors. eta vs tors. theta energy: -160.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1925.660905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.660905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.660905 (E_RNA) where: Base-Base interactions energy: -1311.802 where: short stacking energy: -581.415 Base-Backbone interact. energy: -0.525 local terms energy: -613.333838 where: bonds (distance) C4'-P energy: -110.309 bonds (distance) P-C4' energy: -131.245 flat angles C4'-P-C4' energy: -139.393 flat angles P-C4'-P energy: -80.675 tors. eta vs tors. theta energy: -151.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1830.113021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.113021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.113021 (E_RNA) where: Base-Base interactions energy: -1266.006 where: short stacking energy: -535.071 Base-Backbone interact. energy: 2.430 local terms energy: -566.537279 where: bonds (distance) C4'-P energy: -113.995 bonds (distance) P-C4' energy: -110.190 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -84.298 tors. eta vs tors. theta energy: -127.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1631.502190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.502190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.502190 (E_RNA) where: Base-Base interactions energy: -1094.131 where: short stacking energy: -491.220 Base-Backbone interact. energy: -3.368 local terms energy: -534.002894 where: bonds (distance) C4'-P energy: -103.895 bonds (distance) P-C4' energy: -113.095 flat angles C4'-P-C4' energy: -135.072 flat angles P-C4'-P energy: -59.764 tors. eta vs tors. theta energy: -122.177 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: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1303.469568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.469568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.469568 (E_RNA) where: Base-Base interactions energy: -839.915 where: short stacking energy: -396.153 Base-Backbone interact. energy: -2.478 local terms energy: -461.077187 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -111.998 flat angles C4'-P-C4' energy: -103.895 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -57.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1052.594447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.594447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.594447 (E_RNA) where: Base-Base interactions energy: -659.535 where: short stacking energy: -332.696 Base-Backbone interact. energy: 2.474 local terms energy: -395.533952 where: bonds (distance) C4'-P energy: -94.446 bonds (distance) P-C4' energy: -103.235 flat angles C4'-P-C4' energy: -102.988 flat angles P-C4'-P energy: -59.118 tors. eta vs tors. theta energy: -35.748 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: 198 Temperature: 0.900000 Total energy: -2475.140872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.140872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.140872 (E_RNA) where: Base-Base interactions energy: -1755.832 where: short stacking energy: -745.297 Base-Backbone interact. energy: -7.124 local terms energy: -712.184933 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -149.005 flat angles C4'-P-C4' energy: -150.601 flat angles P-C4'-P energy: -95.180 tors. eta vs tors. theta energy: -198.413 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: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2388.560602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.560602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.560602 (E_RNA) where: Base-Base interactions energy: -1679.542 where: short stacking energy: -717.623 Base-Backbone interact. energy: -2.856 local terms energy: -706.162844 where: bonds (distance) C4'-P energy: -116.831 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -144.858 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -204.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2293.548405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.548405 (E_RNA) where: Base-Base interactions energy: -1594.448 where: short stacking energy: -694.840 Base-Backbone interact. energy: -2.206 local terms energy: -696.894862 where: bonds (distance) C4'-P energy: -124.850 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -155.699 flat angles P-C4'-P energy: -100.228 tors. eta vs tors. theta energy: -187.309 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: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2265.139295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.139295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.139295 (E_RNA) where: Base-Base interactions energy: -1548.932 where: short stacking energy: -689.135 Base-Backbone interact. energy: -1.511 local terms energy: -714.695579 where: bonds (distance) C4'-P energy: -113.470 bonds (distance) P-C4' energy: -138.117 flat angles C4'-P-C4' energy: -157.060 flat angles P-C4'-P energy: -99.335 tors. eta vs tors. theta energy: -206.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2056.971690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.971690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.971690 (E_RNA) where: Base-Base interactions energy: -1431.512 where: short stacking energy: -607.585 Base-Backbone interact. energy: -3.406 local terms energy: -622.053914 where: bonds (distance) C4'-P energy: -103.509 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -137.860 flat angles P-C4'-P energy: -98.973 tors. eta vs tors. theta energy: -164.813 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: 198 Temperature: 1.150000 Total energy: -1901.638835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.638835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.638835 (E_RNA) where: Base-Base interactions energy: -1284.051 where: short stacking energy: -572.782 Base-Backbone interact. energy: -0.733 local terms energy: -617.808482 where: bonds (distance) C4'-P energy: -117.186 bonds (distance) P-C4' energy: -131.027 flat angles C4'-P-C4' energy: -122.766 flat angles P-C4'-P energy: -96.487 tors. eta vs tors. theta energy: -150.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.954 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1804.919934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.919934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.919934 (E_RNA) where: Base-Base interactions energy: -1226.535 where: short stacking energy: -516.863 Base-Backbone interact. energy: -2.397 local terms energy: -575.988117 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -140.027 flat angles P-C4'-P energy: -68.269 tors. eta vs tors. theta energy: -118.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1517.138129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.138129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.138129 (E_RNA) where: Base-Base interactions energy: -1015.893 where: short stacking energy: -461.376 Base-Backbone interact. energy: -2.040 local terms energy: -499.205575 where: bonds (distance) C4'-P energy: -109.200 bonds (distance) P-C4' energy: -116.478 flat angles C4'-P-C4' energy: -117.711 flat angles P-C4'-P energy: -62.439 tors. eta vs tors. theta energy: -93.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1331.085723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.085723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.085723 (E_RNA) where: Base-Base interactions energy: -840.552 where: short stacking energy: -420.981 Base-Backbone interact. energy: -0.331 local terms energy: -490.202092 where: bonds (distance) C4'-P energy: -105.598 bonds (distance) P-C4' energy: -125.763 flat angles C4'-P-C4' energy: -117.949 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -82.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1010.687155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.687155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.687155 (E_RNA) where: Base-Base interactions energy: -625.387 where: short stacking energy: -302.392 Base-Backbone interact. energy: 2.088 local terms energy: -387.387389 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -126.352 flat angles C4'-P-C4' energy: -97.769 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -25.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2490.443369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.443369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.443369 (E_RNA) where: Base-Base interactions energy: -1765.341 where: short stacking energy: -725.355 Base-Backbone interact. energy: -2.373 local terms energy: -722.729437 where: bonds (distance) C4'-P energy: -142.245 bonds (distance) P-C4' energy: -127.855 flat angles C4'-P-C4' energy: -151.366 flat angles P-C4'-P energy: -101.994 tors. eta vs tors. theta energy: -199.270 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: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2409.311106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.311106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.311106 (E_RNA) where: Base-Base interactions energy: -1680.862 where: short stacking energy: -737.096 Base-Backbone interact. energy: -1.038 local terms energy: -727.411503 where: bonds (distance) C4'-P energy: -117.505 bonds (distance) P-C4' energy: -135.720 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -107.524 tors. eta vs tors. theta energy: -208.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2293.732984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.732984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.732984 (E_RNA) where: Base-Base interactions energy: -1590.243 where: short stacking energy: -696.978 Base-Backbone interact. energy: -3.297 local terms energy: -700.192661 where: bonds (distance) C4'-P energy: -112.357 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -146.812 flat angles P-C4'-P energy: -94.070 tors. eta vs tors. theta energy: -203.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2254.915320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.915320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.915320 (E_RNA) where: Base-Base interactions energy: -1563.492 where: short stacking energy: -691.561 Base-Backbone interact. energy: -4.069 local terms energy: -687.354679 where: bonds (distance) C4'-P energy: -124.350 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -143.900 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -193.725 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: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2045.323962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.323962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.323962 (E_RNA) where: Base-Base interactions energy: -1404.053 where: short stacking energy: -606.300 Base-Backbone interact. energy: -3.092 local terms energy: -638.178523 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -124.803 flat angles C4'-P-C4' energy: -144.636 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -152.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1941.491200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.491200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.491200 (E_RNA) where: Base-Base interactions energy: -1328.119 where: short stacking energy: -589.702 Base-Backbone interact. energy: 3.176 local terms energy: -616.548086 where: bonds (distance) C4'-P energy: -114.167 bonds (distance) P-C4' energy: -119.861 flat angles C4'-P-C4' energy: -134.157 flat angles P-C4'-P energy: -89.804 tors. eta vs tors. theta energy: -158.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1874.642042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.642042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.642042 (E_RNA) where: Base-Base interactions energy: -1266.980 where: short stacking energy: -547.709 Base-Backbone interact. energy: -4.519 local terms energy: -603.142168 where: bonds (distance) C4'-P energy: -114.553 bonds (distance) P-C4' energy: -124.147 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -89.864 tors. eta vs tors. theta energy: -139.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1531.309558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.309558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.309558 (E_RNA) where: Base-Base interactions energy: -1065.817 where: short stacking energy: -474.931 Base-Backbone interact. energy: -1.538 local terms energy: -463.954963 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -103.586 flat angles C4'-P-C4' energy: -118.460 flat angles P-C4'-P energy: -68.224 tors. eta vs tors. theta energy: -86.955 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: 199 Temperature: 1.300000 Total energy: -1345.351459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.351459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.351459 (E_RNA) where: Base-Base interactions energy: -882.434 where: short stacking energy: -374.661 Base-Backbone interact. energy: 1.393 local terms energy: -464.309907 where: bonds (distance) C4'-P energy: -115.721 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -106.248 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -54.024 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: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1028.048622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.048622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.048622 (E_RNA) where: Base-Base interactions energy: -602.024 where: short stacking energy: -264.749 Base-Backbone interact. energy: -2.327 local terms energy: -423.697439 where: bonds (distance) C4'-P energy: -111.472 bonds (distance) P-C4' energy: -125.743 flat angles C4'-P-C4' energy: -97.972 flat angles P-C4'-P energy: -69.074 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: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2490.945187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.945187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.945187 (E_RNA) where: Base-Base interactions energy: -1766.681 where: short stacking energy: -748.594 Base-Backbone interact. energy: 2.760 local terms energy: -727.024060 where: bonds (distance) C4'-P energy: -132.360 bonds (distance) P-C4' energy: -133.349 flat angles C4'-P-C4' energy: -162.546 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -194.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2415.830775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.830775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.830775 (E_RNA) where: Base-Base interactions energy: -1672.015 where: short stacking energy: -735.732 Base-Backbone interact. energy: -2.536 local terms energy: -741.279448 where: bonds (distance) C4'-P energy: -139.621 bonds (distance) P-C4' energy: -134.386 flat angles C4'-P-C4' energy: -155.706 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -213.714 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: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2263.180421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.180421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.180421 (E_RNA) where: Base-Base interactions energy: -1598.554 where: short stacking energy: -709.230 Base-Backbone interact. energy: 0.866 local terms energy: -665.492663 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -110.874 flat angles C4'-P-C4' energy: -147.586 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -184.681 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: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2279.904357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.904357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.904357 (E_RNA) where: Base-Base interactions energy: -1619.175 where: short stacking energy: -687.348 Base-Backbone interact. energy: 3.085 local terms energy: -663.813995 where: bonds (distance) C4'-P energy: -119.472 bonds (distance) P-C4' energy: -111.497 flat angles C4'-P-C4' energy: -142.516 flat angles P-C4'-P energy: -92.703 tors. eta vs tors. theta energy: -197.626 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: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2062.834166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.834166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.834166 (E_RNA) where: Base-Base interactions energy: -1413.832 where: short stacking energy: -618.733 Base-Backbone interact. energy: 2.246 local terms energy: -651.248864 where: bonds (distance) C4'-P energy: -109.863 bonds (distance) P-C4' energy: -128.366 flat angles C4'-P-C4' energy: -146.049 flat angles P-C4'-P energy: -98.643 tors. eta vs tors. theta energy: -168.328 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: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1924.001468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.001468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.001468 (E_RNA) where: Base-Base interactions energy: -1322.002 where: short stacking energy: -598.736 Base-Backbone interact. energy: 2.264 local terms energy: -604.264027 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -114.676 flat angles C4'-P-C4' energy: -141.702 flat angles P-C4'-P energy: -90.035 tors. eta vs tors. theta energy: -137.792 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1853.260795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.260795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.260795 (E_RNA) where: Base-Base interactions energy: -1263.672 where: short stacking energy: -541.361 Base-Backbone interact. energy: -0.043 local terms energy: -589.545929 where: bonds (distance) C4'-P energy: -128.776 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -125.389 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -128.994 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: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1533.995631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.995631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.995631 (E_RNA) where: Base-Base interactions energy: -1013.095 where: short stacking energy: -459.443 Base-Backbone interact. energy: -2.293 local terms energy: -518.608252 where: bonds (distance) C4'-P energy: -105.815 bonds (distance) P-C4' energy: -132.709 flat angles C4'-P-C4' energy: -120.600 flat angles P-C4'-P energy: -66.342 tors. eta vs tors. theta energy: -93.143 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: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1312.241764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.241764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.241764 (E_RNA) where: Base-Base interactions energy: -862.592 where: short stacking energy: -373.579 Base-Backbone interact. energy: 6.236 local terms energy: -455.885986 where: bonds (distance) C4'-P energy: -97.371 bonds (distance) P-C4' energy: -98.046 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -73.896 tors. eta vs tors. theta energy: -59.010 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: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1031.931937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.931937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.931937 (E_RNA) where: Base-Base interactions energy: -590.460 where: short stacking energy: -279.527 Base-Backbone interact. energy: -1.689 local terms energy: -439.782585 where: bonds (distance) C4'-P energy: -122.124 bonds (distance) P-C4' energy: -120.213 flat angles C4'-P-C4' energy: -107.881 flat angles P-C4'-P energy: -55.581 tors. eta vs tors. theta energy: -33.984 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: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2459.403972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.403972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.403972 (E_RNA) where: Base-Base interactions energy: -1735.910 where: short stacking energy: -738.776 Base-Backbone interact. energy: 1.603 local terms energy: -725.097067 where: bonds (distance) C4'-P energy: -145.902 bonds (distance) P-C4' energy: -128.400 flat angles C4'-P-C4' energy: -161.542 flat angles P-C4'-P energy: -102.642 tors. eta vs tors. theta energy: -186.611 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: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2407.416846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.416846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.416846 (E_RNA) where: Base-Base interactions energy: -1660.139 where: short stacking energy: -720.989 Base-Backbone interact. energy: 0.058 local terms energy: -747.335843 where: bonds (distance) C4'-P energy: -140.330 bonds (distance) P-C4' energy: -134.944 flat angles C4'-P-C4' energy: -158.531 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -212.677 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: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2283.618674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.618674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.618674 (E_RNA) where: Base-Base interactions energy: -1580.336 where: short stacking energy: -692.650 Base-Backbone interact. energy: -0.518 local terms energy: -702.763789 where: bonds (distance) C4'-P energy: -138.736 bonds (distance) P-C4' energy: -130.784 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -102.291 tors. eta vs tors. theta energy: -185.615 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: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2255.576942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.576942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.576942 (E_RNA) where: Base-Base interactions energy: -1559.804 where: short stacking energy: -679.332 Base-Backbone interact. energy: 1.223 local terms energy: -696.995736 where: bonds (distance) C4'-P energy: -128.879 bonds (distance) P-C4' energy: -135.774 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -87.851 tors. eta vs tors. theta energy: -198.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2080.861119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.861119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.861119 (E_RNA) where: Base-Base interactions energy: -1466.280 where: short stacking energy: -638.818 Base-Backbone interact. energy: -2.214 local terms energy: -612.367516 where: bonds (distance) C4'-P energy: -98.651 bonds (distance) P-C4' energy: -108.679 flat angles C4'-P-C4' energy: -144.368 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -167.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1954.149498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.149498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.149498 (E_RNA) where: Base-Base interactions energy: -1330.388 where: short stacking energy: -585.834 Base-Backbone interact. energy: -5.848 local terms energy: -617.913509 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -121.309 flat angles C4'-P-C4' energy: -131.882 flat angles P-C4'-P energy: -91.099 tors. eta vs tors. theta energy: -154.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1946.489397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.489397 (E_RNA) where: Base-Base interactions energy: -1359.705 where: short stacking energy: -584.381 Base-Backbone interact. energy: -1.877 local terms energy: -584.907050 where: bonds (distance) C4'-P energy: -106.416 bonds (distance) P-C4' energy: -119.992 flat angles C4'-P-C4' energy: -126.733 flat angles P-C4'-P energy: -90.262 tors. eta vs tors. theta energy: -141.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1524.283326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.283326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.283326 (E_RNA) where: Base-Base interactions energy: -1023.348 where: short stacking energy: -433.454 Base-Backbone interact. energy: -4.428 local terms energy: -496.507742 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -105.656 flat angles C4'-P-C4' energy: -123.794 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -83.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1347.559938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.559938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.559938 (E_RNA) where: Base-Base interactions energy: -892.137 where: short stacking energy: -393.441 Base-Backbone interact. energy: 1.003 local terms energy: -456.425434 where: bonds (distance) C4'-P energy: -114.275 bonds (distance) P-C4' energy: -95.244 flat angles C4'-P-C4' energy: -128.468 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -46.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -980.450471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.450471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.450471 (E_RNA) where: Base-Base interactions energy: -584.500 where: short stacking energy: -271.746 Base-Backbone interact. energy: -0.285 local terms energy: -395.665390 where: bonds (distance) C4'-P energy: -113.133 bonds (distance) P-C4' energy: -105.033 flat angles C4'-P-C4' energy: -89.684 flat angles P-C4'-P energy: -53.235 tors. eta vs tors. theta energy: -34.579 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: 202 Temperature: 0.900000 Total energy: -2453.418034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.418034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.418034 (E_RNA) where: Base-Base interactions energy: -1724.754 where: short stacking energy: -749.423 Base-Backbone interact. energy: -4.395 local terms energy: -724.268882 where: bonds (distance) C4'-P energy: -132.472 bonds (distance) P-C4' energy: -141.192 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -104.303 tors. eta vs tors. theta energy: -201.174 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: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2404.674934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.674934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.674934 (E_RNA) where: Base-Base interactions energy: -1670.086 where: short stacking energy: -732.190 Base-Backbone interact. energy: -2.819 local terms energy: -731.769139 where: bonds (distance) C4'-P energy: -134.029 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -154.384 flat angles P-C4'-P energy: -97.986 tors. eta vs tors. theta energy: -220.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2318.266720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.266720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.266720 (E_RNA) where: Base-Base interactions energy: -1598.403 where: short stacking energy: -697.982 Base-Backbone interact. energy: -4.010 local terms energy: -715.853664 where: bonds (distance) C4'-P energy: -126.687 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -159.593 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -195.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2275.036200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.036200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.036200 (E_RNA) where: Base-Base interactions energy: -1599.517 where: short stacking energy: -660.480 Base-Backbone interact. energy: -2.127 local terms energy: -673.392815 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -135.783 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -89.366 tors. eta vs tors. theta energy: -180.627 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: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2071.568165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.568165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.568165 (E_RNA) where: Base-Base interactions energy: -1415.238 where: short stacking energy: -612.094 Base-Backbone interact. energy: -2.239 local terms energy: -654.090965 where: bonds (distance) C4'-P energy: -131.210 bonds (distance) P-C4' energy: -124.949 flat angles C4'-P-C4' energy: -140.233 flat angles P-C4'-P energy: -91.406 tors. eta vs tors. theta energy: -166.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1932.349010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.349010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.349010 (E_RNA) where: Base-Base interactions energy: -1328.016 where: short stacking energy: -556.680 Base-Backbone interact. energy: -2.086 local terms energy: -602.247108 where: bonds (distance) C4'-P energy: -122.650 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -129.765 flat angles P-C4'-P energy: -89.391 tors. eta vs tors. theta energy: -149.315 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: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1934.827881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.827881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.827881 (E_RNA) where: Base-Base interactions energy: -1383.954 where: short stacking energy: -574.938 Base-Backbone interact. energy: -1.749 local terms energy: -549.125528 where: bonds (distance) C4'-P energy: -105.878 bonds (distance) P-C4' energy: -106.312 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -80.824 tors. eta vs tors. theta energy: -131.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1563.114882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.114882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.114882 (E_RNA) where: Base-Base interactions energy: -1048.233 where: short stacking energy: -456.542 Base-Backbone interact. energy: 0.167 local terms energy: -515.048869 where: bonds (distance) C4'-P energy: -100.325 bonds (distance) P-C4' energy: -119.355 flat angles C4'-P-C4' energy: -116.411 flat angles P-C4'-P energy: -85.550 tors. eta vs tors. theta energy: -93.409 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: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1376.926411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.926411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.926411 (E_RNA) where: Base-Base interactions energy: -901.199 where: short stacking energy: -399.153 Base-Backbone interact. energy: -1.900 local terms energy: -473.827488 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -111.138 flat angles C4'-P-C4' energy: -121.720 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -81.326 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: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1057.647146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.647146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.647146 (E_RNA) where: Base-Base interactions energy: -652.579 where: short stacking energy: -333.759 Base-Backbone interact. energy: 3.732 local terms energy: -408.800515 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -114.178 flat angles P-C4'-P energy: -56.592 tors. eta vs tors. theta energy: -43.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2484.710648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.710648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.710648 (E_RNA) where: Base-Base interactions energy: -1754.072 where: short stacking energy: -741.180 Base-Backbone interact. energy: -5.308 local terms energy: -725.330492 where: bonds (distance) C4'-P energy: -139.309 bonds (distance) P-C4' energy: -142.053 flat angles C4'-P-C4' energy: -146.701 flat angles P-C4'-P energy: -103.674 tors. eta vs tors. theta energy: -193.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2441.596678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.596678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.596678 (E_RNA) where: Base-Base interactions energy: -1718.294 where: short stacking energy: -757.641 Base-Backbone interact. energy: -3.928 local terms energy: -719.374735 where: bonds (distance) C4'-P energy: -143.846 bonds (distance) P-C4' energy: -117.021 flat angles C4'-P-C4' energy: -163.072 flat angles P-C4'-P energy: -81.732 tors. eta vs tors. theta energy: -213.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2316.374509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.374509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.374509 (E_RNA) where: Base-Base interactions energy: -1626.541 where: short stacking energy: -722.978 Base-Backbone interact. energy: -0.810 local terms energy: -689.023346 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -115.002 flat angles C4'-P-C4' energy: -155.385 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -196.155 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2215.690757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.690757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.690757 (E_RNA) where: Base-Base interactions energy: -1562.128 where: short stacking energy: -658.259 Base-Backbone interact. energy: -3.273 local terms energy: -650.289712 where: bonds (distance) C4'-P energy: -107.187 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -141.588 flat angles P-C4'-P energy: -92.022 tors. eta vs tors. theta energy: -175.072 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: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2016.220824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.220824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.220824 (E_RNA) where: Base-Base interactions energy: -1383.294 where: short stacking energy: -596.724 Base-Backbone interact. energy: -4.101 local terms energy: -628.825283 where: bonds (distance) C4'-P energy: -127.588 bonds (distance) P-C4' energy: -125.927 flat angles C4'-P-C4' energy: -137.023 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: -150.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1999.720042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.720042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.720042 (E_RNA) where: Base-Base interactions energy: -1375.761 where: short stacking energy: -592.187 Base-Backbone interact. energy: -3.049 local terms energy: -620.910271 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -134.785 flat angles P-C4'-P energy: -93.374 tors. eta vs tors. theta energy: -143.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1865.750676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.750676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.750676 (E_RNA) where: Base-Base interactions energy: -1281.663 where: short stacking energy: -538.810 Base-Backbone interact. energy: 2.670 local terms energy: -586.757858 where: bonds (distance) C4'-P energy: -121.315 bonds (distance) P-C4' energy: -110.448 flat angles C4'-P-C4' energy: -139.510 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -132.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1632.418409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.418409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.418409 (E_RNA) where: Base-Base interactions energy: -1116.650 where: short stacking energy: -517.972 Base-Backbone interact. energy: 0.831 local terms energy: -516.599558 where: bonds (distance) C4'-P energy: -98.525 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -127.173 flat angles P-C4'-P energy: -83.493 tors. eta vs tors. theta energy: -109.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1451.135919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.135919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.135919 (E_RNA) where: Base-Base interactions energy: -985.857 where: short stacking energy: -450.965 Base-Backbone interact. energy: -1.142 local terms energy: -464.136980 where: bonds (distance) C4'-P energy: -104.990 bonds (distance) P-C4' energy: -104.638 flat angles C4'-P-C4' energy: -105.488 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -84.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1046.982515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.982515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.982515 (E_RNA) where: Base-Base interactions energy: -643.453 where: short stacking energy: -326.246 Base-Backbone interact. energy: 1.427 local terms energy: -404.955799 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -91.404 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -51.494 tors. eta vs tors. theta energy: -24.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2460.830828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.830828 (E_RNA) where: Base-Base interactions energy: -1712.665 where: short stacking energy: -743.933 Base-Backbone interact. energy: 5.186 local terms energy: -753.351980 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -142.904 flat angles C4'-P-C4' energy: -165.257 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -198.292 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: 204 Temperature: 0.950000 Total energy: -2468.769176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.769176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.769176 (E_RNA) where: Base-Base interactions energy: -1706.928 where: short stacking energy: -750.766 Base-Backbone interact. energy: 0.263 local terms energy: -762.104309 where: bonds (distance) C4'-P energy: -131.873 bonds (distance) P-C4' energy: -130.873 flat angles C4'-P-C4' energy: -166.623 flat angles P-C4'-P energy: -111.781 tors. eta vs tors. theta energy: -220.956 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: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2315.701557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.701557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.701557 (E_RNA) where: Base-Base interactions energy: -1598.477 where: short stacking energy: -686.558 Base-Backbone interact. energy: -3.577 local terms energy: -713.647520 where: bonds (distance) C4'-P energy: -123.295 bonds (distance) P-C4' energy: -149.971 flat angles C4'-P-C4' energy: -144.329 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -195.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2252.276401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.276401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.276401 (E_RNA) where: Base-Base interactions energy: -1584.807 where: short stacking energy: -684.594 Base-Backbone interact. energy: 0.551 local terms energy: -668.019518 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -126.004 flat angles C4'-P-C4' energy: -140.788 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -174.904 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: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2071.682415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.682415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.682415 (E_RNA) where: Base-Base interactions energy: -1465.201 where: short stacking energy: -631.443 Base-Backbone interact. energy: -0.973 local terms energy: -605.507674 where: bonds (distance) C4'-P energy: -107.009 bonds (distance) P-C4' energy: -98.748 flat angles C4'-P-C4' energy: -146.881 flat angles P-C4'-P energy: -93.165 tors. eta vs tors. theta energy: -159.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2040.873937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.873937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.873937 (E_RNA) where: Base-Base interactions energy: -1402.556 where: short stacking energy: -614.255 Base-Backbone interact. energy: -3.560 local terms energy: -634.758530 where: bonds (distance) C4'-P energy: -134.169 bonds (distance) P-C4' energy: -118.519 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -85.231 tors. eta vs tors. theta energy: -158.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1842.326691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.326691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.326691 (E_RNA) where: Base-Base interactions energy: -1266.299 where: short stacking energy: -565.563 Base-Backbone interact. energy: -2.583 local terms energy: -573.444562 where: bonds (distance) C4'-P energy: -109.973 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -123.118 flat angles P-C4'-P energy: -83.716 tors. eta vs tors. theta energy: -132.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1633.522973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.522973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.522973 (E_RNA) where: Base-Base interactions energy: -1097.509 where: short stacking energy: -489.477 Base-Backbone interact. energy: -2.503 local terms energy: -533.510905 where: bonds (distance) C4'-P energy: -116.027 bonds (distance) P-C4' energy: -117.571 flat angles C4'-P-C4' energy: -120.534 flat angles P-C4'-P energy: -74.529 tors. eta vs tors. theta energy: -104.851 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: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1441.241126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.241126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.241126 (E_RNA) where: Base-Base interactions energy: -977.958 where: short stacking energy: -416.973 Base-Backbone interact. energy: -1.959 local terms energy: -461.324700 where: bonds (distance) C4'-P energy: -120.927 bonds (distance) P-C4' energy: -102.295 flat angles C4'-P-C4' energy: -105.612 flat angles P-C4'-P energy: -56.490 tors. eta vs tors. theta energy: -76.000 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: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1092.818589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.818589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.818589 (E_RNA) where: Base-Base interactions energy: -703.412 where: short stacking energy: -309.641 Base-Backbone interact. energy: -1.378 local terms energy: -388.028256 where: bonds (distance) C4'-P energy: -96.426 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2471.184386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.184386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.184386 (E_RNA) where: Base-Base interactions energy: -1729.168 where: short stacking energy: -735.201 Base-Backbone interact. energy: -3.269 local terms energy: -738.747525 where: bonds (distance) C4'-P energy: -142.115 bonds (distance) P-C4' energy: -135.347 flat angles C4'-P-C4' energy: -159.247 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -199.121 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: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2445.748284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.748284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.748284 (E_RNA) where: Base-Base interactions energy: -1707.328 where: short stacking energy: -749.258 Base-Backbone interact. energy: 3.084 local terms energy: -741.504262 where: bonds (distance) C4'-P energy: -127.410 bonds (distance) P-C4' energy: -132.376 flat angles C4'-P-C4' energy: -158.712 flat angles P-C4'-P energy: -108.602 tors. eta vs tors. theta energy: -214.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2305.357256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.357256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.357256 (E_RNA) where: Base-Base interactions energy: -1613.333 where: short stacking energy: -717.875 Base-Backbone interact. energy: -2.584 local terms energy: -689.439955 where: bonds (distance) C4'-P energy: -116.018 bonds (distance) P-C4' energy: -134.000 flat angles C4'-P-C4' energy: -143.790 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -197.054 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: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2232.184331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.184331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.184331 (E_RNA) where: Base-Base interactions energy: -1548.028 where: short stacking energy: -673.495 Base-Backbone interact. energy: -5.576 local terms energy: -678.580259 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -133.239 flat angles C4'-P-C4' energy: -150.874 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -179.953 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: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2079.850024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.850024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.850024 (E_RNA) where: Base-Base interactions energy: -1423.226 where: short stacking energy: -629.084 Base-Backbone interact. energy: 1.667 local terms energy: -658.291212 where: bonds (distance) C4'-P energy: -121.621 bonds (distance) P-C4' energy: -129.269 flat angles C4'-P-C4' energy: -148.744 flat angles P-C4'-P energy: -94.782 tors. eta vs tors. theta energy: -163.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2005.808061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.808061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.808061 (E_RNA) where: Base-Base interactions energy: -1361.333 where: short stacking energy: -599.811 Base-Backbone interact. energy: -2.163 local terms energy: -642.312005 where: bonds (distance) C4'-P energy: -122.342 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -138.030 flat angles P-C4'-P energy: -97.808 tors. eta vs tors. theta energy: -151.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1860.983856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.983856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.983856 (E_RNA) where: Base-Base interactions energy: -1232.686 where: short stacking energy: -548.577 Base-Backbone interact. energy: 3.140 local terms energy: -631.438351 where: bonds (distance) C4'-P energy: -128.442 bonds (distance) P-C4' energy: -129.308 flat angles C4'-P-C4' energy: -133.146 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -152.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1648.973043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.973043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.973043 (E_RNA) where: Base-Base interactions energy: -1131.187 where: short stacking energy: -491.732 Base-Backbone interact. energy: 0.065 local terms energy: -517.850606 where: bonds (distance) C4'-P energy: -103.336 bonds (distance) P-C4' energy: -112.616 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -48.026 tors. eta vs tors. theta energy: -123.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1437.238071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.238071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.238071 (E_RNA) where: Base-Base interactions energy: -947.615 where: short stacking energy: -414.378 Base-Backbone interact. energy: -2.286 local terms energy: -487.336576 where: bonds (distance) C4'-P energy: -109.575 bonds (distance) P-C4' energy: -117.317 flat angles C4'-P-C4' energy: -110.438 flat angles P-C4'-P energy: -74.154 tors. eta vs tors. theta energy: -75.854 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1145.419993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.419993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.419993 (E_RNA) where: Base-Base interactions energy: -736.172 where: short stacking energy: -320.534 Base-Backbone interact. energy: 0.010 local terms energy: -409.257514 where: bonds (distance) C4'-P energy: -92.327 bonds (distance) P-C4' energy: -117.835 flat angles C4'-P-C4' energy: -108.850 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -27.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2485.762340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.762340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.762340 (E_RNA) where: Base-Base interactions energy: -1778.399 where: short stacking energy: -742.767 Base-Backbone interact. energy: -1.125 local terms energy: -706.238200 where: bonds (distance) C4'-P energy: -126.329 bonds (distance) P-C4' energy: -120.083 flat angles C4'-P-C4' energy: -159.288 flat angles P-C4'-P energy: -103.126 tors. eta vs tors. theta energy: -197.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2451.071037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.071037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.071037 (E_RNA) where: Base-Base interactions energy: -1732.119 where: short stacking energy: -767.195 Base-Backbone interact. energy: -0.086 local terms energy: -718.865849 where: bonds (distance) C4'-P energy: -114.240 bonds (distance) P-C4' energy: -138.128 flat angles C4'-P-C4' energy: -153.509 flat angles P-C4'-P energy: -97.199 tors. eta vs tors. theta energy: -215.790 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: 206 Temperature: 1.000000 Total energy: -2308.495265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.495265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.495265 (E_RNA) where: Base-Base interactions energy: -1616.921 where: short stacking energy: -710.559 Base-Backbone interact. energy: -3.865 local terms energy: -687.709085 where: bonds (distance) C4'-P energy: -125.632 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -161.840 flat angles P-C4'-P energy: -96.078 tors. eta vs tors. theta energy: -203.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2209.112491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.112491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.112491 (E_RNA) where: Base-Base interactions energy: -1510.989 where: short stacking energy: -675.899 Base-Backbone interact. energy: -1.300 local terms energy: -696.823687 where: bonds (distance) C4'-P energy: -126.022 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -147.021 flat angles P-C4'-P energy: -96.223 tors. eta vs tors. theta energy: -194.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2123.841984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.841984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.841984 (E_RNA) where: Base-Base interactions energy: -1493.774 where: short stacking energy: -642.556 Base-Backbone interact. energy: -0.090 local terms energy: -629.977948 where: bonds (distance) C4'-P energy: -111.826 bonds (distance) P-C4' energy: -130.688 flat angles C4'-P-C4' energy: -138.963 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -166.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2002.001719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.001719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.001719 (E_RNA) where: Base-Base interactions energy: -1390.919 where: short stacking energy: -634.510 Base-Backbone interact. energy: -1.297 local terms energy: -609.785434 where: bonds (distance) C4'-P energy: -124.431 bonds (distance) P-C4' energy: -123.336 flat angles C4'-P-C4' energy: -137.985 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -153.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1890.900136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.900136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.900136 (E_RNA) where: Base-Base interactions energy: -1295.528 where: short stacking energy: -573.031 Base-Backbone interact. energy: -3.272 local terms energy: -592.099452 where: bonds (distance) C4'-P energy: -126.930 bonds (distance) P-C4' energy: -113.138 flat angles C4'-P-C4' energy: -135.343 flat angles P-C4'-P energy: -72.618 tors. eta vs tors. theta energy: -144.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1635.647507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.647507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.647507 (E_RNA) where: Base-Base interactions energy: -1117.280 where: short stacking energy: -484.917 Base-Backbone interact. energy: 1.242 local terms energy: -519.609038 where: bonds (distance) C4'-P energy: -108.385 bonds (distance) P-C4' energy: -108.870 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -77.061 tors. eta vs tors. theta energy: -92.807 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: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1431.843330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.843330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.843330 (E_RNA) where: Base-Base interactions energy: -954.803 where: short stacking energy: -391.802 Base-Backbone interact. energy: 1.863 local terms energy: -478.903566 where: bonds (distance) C4'-P energy: -89.804 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -119.637 flat angles P-C4'-P energy: -78.314 tors. eta vs tors. theta energy: -70.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1136.338278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.338278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.338278 (E_RNA) where: Base-Base interactions energy: -728.276 where: short stacking energy: -300.867 Base-Backbone interact. energy: -1.274 local terms energy: -406.788552 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -123.357 flat angles C4'-P-C4' energy: -92.805 flat angles P-C4'-P energy: -53.059 tors. eta vs tors. theta energy: -45.285 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: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2498.292859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.292859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.292859 (E_RNA) where: Base-Base interactions energy: -1787.016 where: short stacking energy: -753.515 Base-Backbone interact. energy: 1.491 local terms energy: -712.767401 where: bonds (distance) C4'-P energy: -128.622 bonds (distance) P-C4' energy: -130.430 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -102.345 tors. eta vs tors. theta energy: -197.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2456.987338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.987338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.987338 (E_RNA) where: Base-Base interactions energy: -1723.113 where: short stacking energy: -787.874 Base-Backbone interact. energy: -3.726 local terms energy: -730.149150 where: bonds (distance) C4'-P energy: -134.382 bonds (distance) P-C4' energy: -124.318 flat angles C4'-P-C4' energy: -153.629 flat angles P-C4'-P energy: -101.339 tors. eta vs tors. theta energy: -216.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2304.563829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.563829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.563829 (E_RNA) where: Base-Base interactions energy: -1616.677 where: short stacking energy: -705.743 Base-Backbone interact. energy: -0.426 local terms energy: -687.461167 where: bonds (distance) C4'-P energy: -119.188 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -193.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2196.150461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.150461 (E_RNA) where: Base-Base interactions energy: -1514.495 where: short stacking energy: -669.826 Base-Backbone interact. energy: -4.295 local terms energy: -677.359641 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -119.838 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -186.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2082.140074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.140074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.140074 (E_RNA) where: Base-Base interactions energy: -1426.506 where: short stacking energy: -627.467 Base-Backbone interact. energy: 1.969 local terms energy: -657.602599 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -123.778 flat angles C4'-P-C4' energy: -152.427 flat angles P-C4'-P energy: -85.254 tors. eta vs tors. theta energy: -173.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1951.291093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.291093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.291093 (E_RNA) where: Base-Base interactions energy: -1364.269 where: short stacking energy: -584.026 Base-Backbone interact. energy: -1.966 local terms energy: -585.057013 where: bonds (distance) C4'-P energy: -112.875 bonds (distance) P-C4' energy: -106.739 flat angles C4'-P-C4' energy: -130.794 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -149.125 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: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1839.323207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.323207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.323207 (E_RNA) where: Base-Base interactions energy: -1263.515 where: short stacking energy: -553.810 Base-Backbone interact. energy: 0.484 local terms energy: -576.292732 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -147.901 flat angles C4'-P-C4' energy: -124.960 flat angles P-C4'-P energy: -75.812 tors. eta vs tors. theta energy: -146.131 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: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1577.153587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.153587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.153587 (E_RNA) where: Base-Base interactions energy: -1054.506 where: short stacking energy: -479.637 Base-Backbone interact. energy: -1.429 local terms energy: -521.218541 where: bonds (distance) C4'-P energy: -106.541 bonds (distance) P-C4' energy: -113.299 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -70.425 tors. eta vs tors. theta energy: -122.125 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: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1447.509268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.509268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.509268 (E_RNA) where: Base-Base interactions energy: -977.970 where: short stacking energy: -413.518 Base-Backbone interact. energy: -3.062 local terms energy: -467.057962 where: bonds (distance) C4'-P energy: -95.848 bonds (distance) P-C4' energy: -123.986 flat angles C4'-P-C4' energy: -112.866 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -66.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.580 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1116.102283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.102283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.102283 (E_RNA) where: Base-Base interactions energy: -684.552 where: short stacking energy: -332.948 Base-Backbone interact. energy: -0.601 local terms energy: -430.949079 where: bonds (distance) C4'-P energy: -105.678 bonds (distance) P-C4' energy: -101.223 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -59.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2489.090021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.090021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.090021 (E_RNA) where: Base-Base interactions energy: -1769.998 where: short stacking energy: -736.726 Base-Backbone interact. energy: -0.885 local terms energy: -718.206542 where: bonds (distance) C4'-P energy: -114.800 bonds (distance) P-C4' energy: -139.501 flat angles C4'-P-C4' energy: -156.727 flat angles P-C4'-P energy: -112.491 tors. eta vs tors. theta energy: -194.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2438.262150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.262150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.262150 (E_RNA) where: Base-Base interactions energy: -1690.735 where: short stacking energy: -738.297 Base-Backbone interact. energy: -4.406 local terms energy: -743.120763 where: bonds (distance) C4'-P energy: -123.042 bonds (distance) P-C4' energy: -146.220 flat angles C4'-P-C4' energy: -158.688 flat angles P-C4'-P energy: -103.684 tors. eta vs tors. theta energy: -211.486 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: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2312.797294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.797294 (E_RNA) where: Base-Base interactions energy: -1618.387 where: short stacking energy: -684.083 Base-Backbone interact. energy: -3.111 local terms energy: -691.299560 where: bonds (distance) C4'-P energy: -113.829 bonds (distance) P-C4' energy: -125.543 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -104.819 tors. eta vs tors. theta energy: -191.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2194.695870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.695870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.695870 (E_RNA) where: Base-Base interactions energy: -1506.134 where: short stacking energy: -671.144 Base-Backbone interact. energy: -3.458 local terms energy: -685.104576 where: bonds (distance) C4'-P energy: -134.998 bonds (distance) P-C4' energy: -129.917 flat angles C4'-P-C4' energy: -141.130 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -182.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2067.116736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.116736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.116736 (E_RNA) where: Base-Base interactions energy: -1424.312 where: short stacking energy: -634.431 Base-Backbone interact. energy: -2.345 local terms energy: -640.459749 where: bonds (distance) C4'-P energy: -123.445 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -166.426 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: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1944.817606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.817606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.817606 (E_RNA) where: Base-Base interactions energy: -1351.460 where: short stacking energy: -587.805 Base-Backbone interact. energy: 0.921 local terms energy: -594.278563 where: bonds (distance) C4'-P energy: -114.117 bonds (distance) P-C4' energy: -133.764 flat angles C4'-P-C4' energy: -135.272 flat angles P-C4'-P energy: -66.564 tors. eta vs tors. theta energy: -144.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1866.124767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.124767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.124767 (E_RNA) where: Base-Base interactions energy: -1239.518 where: short stacking energy: -559.786 Base-Backbone interact. energy: -1.437 local terms energy: -625.169778 where: bonds (distance) C4'-P energy: -130.479 bonds (distance) P-C4' energy: -122.879 flat angles C4'-P-C4' energy: -139.598 flat angles P-C4'-P energy: -96.655 tors. eta vs tors. theta energy: -135.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1655.358344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.358344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.358344 (E_RNA) where: Base-Base interactions energy: -1100.283 where: short stacking energy: -463.085 Base-Backbone interact. energy: -2.635 local terms energy: -552.440583 where: bonds (distance) C4'-P energy: -102.480 bonds (distance) P-C4' energy: -128.458 flat angles C4'-P-C4' energy: -119.545 flat angles P-C4'-P energy: -93.935 tors. eta vs tors. theta energy: -108.022 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: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1497.001113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.001113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.001113 (E_RNA) where: Base-Base interactions energy: -1009.700 where: short stacking energy: -469.835 Base-Backbone interact. energy: 0.768 local terms energy: -488.068867 where: bonds (distance) C4'-P energy: -104.074 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -110.958 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -89.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1129.061345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.061345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.061345 (E_RNA) where: Base-Base interactions energy: -700.587 where: short stacking energy: -336.533 Base-Backbone interact. energy: -0.622 local terms energy: -427.851950 where: bonds (distance) C4'-P energy: -105.034 bonds (distance) P-C4' energy: -116.525 flat angles C4'-P-C4' energy: -125.239 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -32.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2492.784849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.784849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.784849 (E_RNA) where: Base-Base interactions energy: -1767.687 where: short stacking energy: -730.684 Base-Backbone interact. energy: -1.192 local terms energy: -723.904938 where: bonds (distance) C4'-P energy: -140.627 bonds (distance) P-C4' energy: -133.493 flat angles C4'-P-C4' energy: -149.847 flat angles P-C4'-P energy: -98.084 tors. eta vs tors. theta energy: -201.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2442.841688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.841688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.841688 (E_RNA) where: Base-Base interactions energy: -1682.178 where: short stacking energy: -754.235 Base-Backbone interact. energy: 3.408 local terms energy: -764.070851 where: bonds (distance) C4'-P energy: -139.704 bonds (distance) P-C4' energy: -135.807 flat angles C4'-P-C4' energy: -157.800 flat angles P-C4'-P energy: -108.585 tors. eta vs tors. theta energy: -222.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2316.512259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.512259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.512259 (E_RNA) where: Base-Base interactions energy: -1600.323 where: short stacking energy: -680.458 Base-Backbone interact. energy: -0.600 local terms energy: -715.588794 where: bonds (distance) C4'-P energy: -127.697 bonds (distance) P-C4' energy: -136.193 flat angles C4'-P-C4' energy: -157.402 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -187.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2191.048118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.048118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.048118 (E_RNA) where: Base-Base interactions energy: -1530.898 where: short stacking energy: -662.123 Base-Backbone interact. energy: 0.409 local terms energy: -660.558811 where: bonds (distance) C4'-P energy: -121.225 bonds (distance) P-C4' energy: -113.957 flat angles C4'-P-C4' energy: -150.007 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -173.261 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: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2043.065217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.065217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.065217 (E_RNA) where: Base-Base interactions energy: -1411.838 where: short stacking energy: -642.541 Base-Backbone interact. energy: 0.709 local terms energy: -631.935889 where: bonds (distance) C4'-P energy: -137.010 bonds (distance) P-C4' energy: -113.960 flat angles C4'-P-C4' energy: -135.941 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: -163.033 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: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1958.903001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.903001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.903001 (E_RNA) where: Base-Base interactions energy: -1386.230 where: short stacking energy: -606.934 Base-Backbone interact. energy: 5.142 local terms energy: -577.814640 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -94.668 flat angles C4'-P-C4' energy: -121.053 flat angles P-C4'-P energy: -79.061 tors. eta vs tors. theta energy: -154.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1803.852888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.852888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.852888 (E_RNA) where: Base-Base interactions energy: -1209.215 where: short stacking energy: -522.435 Base-Backbone interact. energy: 0.108 local terms energy: -594.745369 where: bonds (distance) C4'-P energy: -113.161 bonds (distance) P-C4' energy: -127.782 flat angles C4'-P-C4' energy: -128.947 flat angles P-C4'-P energy: -78.286 tors. eta vs tors. theta energy: -146.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1649.982372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.982372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.982372 (E_RNA) where: Base-Base interactions energy: -1141.258 where: short stacking energy: -488.935 Base-Backbone interact. energy: -1.608 local terms energy: -507.116545 where: bonds (distance) C4'-P energy: -95.397 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -85.706 tors. eta vs tors. theta energy: -101.801 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: 209 Temperature: 1.300000 Total energy: -1473.383660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.383660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.383660 (E_RNA) where: Base-Base interactions energy: -959.781 where: short stacking energy: -426.560 Base-Backbone interact. energy: -1.812 local terms energy: -511.790125 where: bonds (distance) C4'-P energy: -105.696 bonds (distance) P-C4' energy: -115.508 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -81.734 tors. eta vs tors. theta energy: -86.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1110.089728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.089728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.089728 (E_RNA) where: Base-Base interactions energy: -673.308 where: short stacking energy: -312.961 Base-Backbone interact. energy: -1.022 local terms energy: -435.759462 where: bonds (distance) C4'-P energy: -97.982 bonds (distance) P-C4' energy: -124.224 flat angles C4'-P-C4' energy: -111.834 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -45.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2511.974822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.974822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.974822 (E_RNA) where: Base-Base interactions energy: -1765.344 where: short stacking energy: -749.399 Base-Backbone interact. energy: -2.532 local terms energy: -744.099112 where: bonds (distance) C4'-P energy: -138.908 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -152.036 flat angles P-C4'-P energy: -107.254 tors. eta vs tors. theta energy: -203.349 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: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2434.415931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.415931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.415931 (E_RNA) where: Base-Base interactions energy: -1681.873 where: short stacking energy: -770.424 Base-Backbone interact. energy: 1.072 local terms energy: -753.614656 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -135.300 flat angles C4'-P-C4' energy: -162.556 flat angles P-C4'-P energy: -110.312 tors. eta vs tors. theta energy: -232.956 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: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2353.646301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.646301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.646301 (E_RNA) where: Base-Base interactions energy: -1655.041 where: short stacking energy: -699.427 Base-Backbone interact. energy: -3.387 local terms energy: -695.218147 where: bonds (distance) C4'-P energy: -131.194 bonds (distance) P-C4' energy: -136.289 flat angles C4'-P-C4' energy: -148.252 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -190.454 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: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2202.306289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.306289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.306289 (E_RNA) where: Base-Base interactions energy: -1528.975 where: short stacking energy: -664.473 Base-Backbone interact. energy: -2.369 local terms energy: -670.962162 where: bonds (distance) C4'-P energy: -130.868 bonds (distance) P-C4' energy: -130.836 flat angles C4'-P-C4' energy: -151.818 flat angles P-C4'-P energy: -82.202 tors. eta vs tors. theta energy: -175.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2064.378461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.378461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.378461 (E_RNA) where: Base-Base interactions energy: -1418.816 where: short stacking energy: -619.506 Base-Backbone interact. energy: -4.641 local terms energy: -640.921968 where: bonds (distance) C4'-P energy: -137.275 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -143.304 flat angles P-C4'-P energy: -88.635 tors. eta vs tors. theta energy: -159.126 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: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2003.964181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.964181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.964181 (E_RNA) where: Base-Base interactions energy: -1408.798 where: short stacking energy: -618.083 Base-Backbone interact. energy: -2.489 local terms energy: -592.677134 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -118.864 flat angles C4'-P-C4' energy: -126.324 flat angles P-C4'-P energy: -77.266 tors. eta vs tors. theta energy: -162.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1850.318780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.318780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.318780 (E_RNA) where: Base-Base interactions energy: -1253.824 where: short stacking energy: -550.263 Base-Backbone interact. energy: -3.813 local terms energy: -592.681898 where: bonds (distance) C4'-P energy: -110.541 bonds (distance) P-C4' energy: -120.231 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -74.191 tors. eta vs tors. theta energy: -160.086 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: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1690.026705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.026705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.026705 (E_RNA) where: Base-Base interactions energy: -1158.906 where: short stacking energy: -525.878 Base-Backbone interact. energy: 0.266 local terms energy: -531.386446 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -102.307 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -117.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1468.480519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.480519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.480519 (E_RNA) where: Base-Base interactions energy: -984.216 where: short stacking energy: -436.220 Base-Backbone interact. energy: 7.077 local terms energy: -491.341381 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -123.165 flat angles C4'-P-C4' energy: -106.178 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -95.442 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: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1050.282329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.282329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.282329 (E_RNA) where: Base-Base interactions energy: -614.595 where: short stacking energy: -298.000 Base-Backbone interact. energy: -3.157 local terms energy: -432.530554 where: bonds (distance) C4'-P energy: -120.497 bonds (distance) P-C4' energy: -121.752 flat angles C4'-P-C4' energy: -101.444 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -36.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2499.662621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.662621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.662621 (E_RNA) where: Base-Base interactions energy: -1781.223 where: short stacking energy: -747.121 Base-Backbone interact. energy: -0.799 local terms energy: -717.640991 where: bonds (distance) C4'-P energy: -129.068 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -162.955 flat angles P-C4'-P energy: -91.851 tors. eta vs tors. theta energy: -200.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2434.729472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.729472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.729472 (E_RNA) where: Base-Base interactions energy: -1699.838 where: short stacking energy: -772.235 Base-Backbone interact. energy: 1.478 local terms energy: -736.368796 where: bonds (distance) C4'-P energy: -129.177 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -151.265 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -218.272 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: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2339.650590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.650590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.650590 (E_RNA) where: Base-Base interactions energy: -1628.883 where: short stacking energy: -709.329 Base-Backbone interact. energy: -1.589 local terms energy: -709.178511 where: bonds (distance) C4'-P energy: -125.757 bonds (distance) P-C4' energy: -131.814 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -90.759 tors. eta vs tors. theta energy: -202.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2205.824489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.824489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.824489 (E_RNA) where: Base-Base interactions energy: -1546.164 where: short stacking energy: -645.259 Base-Backbone interact. energy: -2.845 local terms energy: -656.815385 where: bonds (distance) C4'-P energy: -122.426 bonds (distance) P-C4' energy: -124.426 flat angles C4'-P-C4' energy: -144.117 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -178.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2096.754176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.754176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.754176 (E_RNA) where: Base-Base interactions energy: -1455.027 where: short stacking energy: -638.580 Base-Backbone interact. energy: -2.181 local terms energy: -639.545428 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -123.691 flat angles C4'-P-C4' energy: -135.201 flat angles P-C4'-P energy: -89.258 tors. eta vs tors. theta energy: -171.993 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: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2015.548236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.548236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.548236 (E_RNA) where: Base-Base interactions energy: -1402.801 where: short stacking energy: -638.592 Base-Backbone interact. energy: -1.379 local terms energy: -611.368060 where: bonds (distance) C4'-P energy: -97.061 bonds (distance) P-C4' energy: -120.017 flat angles C4'-P-C4' energy: -151.504 flat angles P-C4'-P energy: -85.726 tors. eta vs tors. theta energy: -157.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1851.878352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.878352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.878352 (E_RNA) where: Base-Base interactions energy: -1269.107 where: short stacking energy: -548.448 Base-Backbone interact. energy: -1.438 local terms energy: -581.333387 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -116.857 flat angles C4'-P-C4' energy: -140.651 flat angles P-C4'-P energy: -90.423 tors. eta vs tors. theta energy: -143.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1646.304391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.304391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.304391 (E_RNA) where: Base-Base interactions energy: -1111.791 where: short stacking energy: -481.717 Base-Backbone interact. energy: -4.163 local terms energy: -530.350961 where: bonds (distance) C4'-P energy: -107.879 bonds (distance) P-C4' energy: -108.747 flat angles C4'-P-C4' energy: -132.006 flat angles P-C4'-P energy: -72.333 tors. eta vs tors. theta energy: -109.388 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: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1500.970963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.970963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.970963 (E_RNA) where: Base-Base interactions energy: -1003.817 where: short stacking energy: -442.008 Base-Backbone interact. energy: 0.563 local terms energy: -497.716806 where: bonds (distance) C4'-P energy: -113.217 bonds (distance) P-C4' energy: -130.888 flat angles C4'-P-C4' energy: -109.036 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -81.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1042.822625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.822625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.822625 (E_RNA) where: Base-Base interactions energy: -645.697 where: short stacking energy: -304.430 Base-Backbone interact. energy: 0.788 local terms energy: -397.913100 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -98.788 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -24.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2495.780297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.780297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.780297 (E_RNA) where: Base-Base interactions energy: -1736.078 where: short stacking energy: -712.251 Base-Backbone interact. energy: -5.220 local terms energy: -754.482602 where: bonds (distance) C4'-P energy: -140.192 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -162.068 flat angles P-C4'-P energy: -110.681 tors. eta vs tors. theta energy: -193.224 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: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2416.103319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.103319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.103319 (E_RNA) where: Base-Base interactions energy: -1681.496 where: short stacking energy: -742.578 Base-Backbone interact. energy: -0.149 local terms energy: -734.457829 where: bonds (distance) C4'-P energy: -121.380 bonds (distance) P-C4' energy: -141.328 flat angles C4'-P-C4' energy: -147.194 flat angles P-C4'-P energy: -115.382 tors. eta vs tors. theta energy: -209.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2341.985289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.985289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.985289 (E_RNA) where: Base-Base interactions energy: -1643.356 where: short stacking energy: -715.667 Base-Backbone interact. energy: -3.859 local terms energy: -694.770078 where: bonds (distance) C4'-P energy: -122.232 bonds (distance) P-C4' energy: -137.541 flat angles C4'-P-C4' energy: -139.206 flat angles P-C4'-P energy: -89.901 tors. eta vs tors. theta energy: -205.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2225.282406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.282406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.282406 (E_RNA) where: Base-Base interactions energy: -1522.308 where: short stacking energy: -680.301 Base-Backbone interact. energy: -1.830 local terms energy: -701.144875 where: bonds (distance) C4'-P energy: -133.802 bonds (distance) P-C4' energy: -126.819 flat angles C4'-P-C4' energy: -153.949 flat angles P-C4'-P energy: -95.153 tors. eta vs tors. theta energy: -191.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2082.612013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.612013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.612013 (E_RNA) where: Base-Base interactions energy: -1430.457 where: short stacking energy: -617.220 Base-Backbone interact. energy: -1.604 local terms energy: -650.551385 where: bonds (distance) C4'-P energy: -131.062 bonds (distance) P-C4' energy: -124.958 flat angles C4'-P-C4' energy: -147.603 flat angles P-C4'-P energy: -89.891 tors. eta vs tors. theta energy: -157.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1971.149157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.149157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.149157 (E_RNA) where: Base-Base interactions energy: -1353.689 where: short stacking energy: -604.172 Base-Backbone interact. energy: -0.121 local terms energy: -617.339092 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -115.745 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -87.456 tors. eta vs tors. theta energy: -165.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1875.625589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.625589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.625589 (E_RNA) where: Base-Base interactions energy: -1303.572 where: short stacking energy: -585.968 Base-Backbone interact. energy: -3.463 local terms energy: -568.590117 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -116.033 flat angles C4'-P-C4' energy: -128.114 flat angles P-C4'-P energy: -80.590 tors. eta vs tors. theta energy: -142.348 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: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1756.459732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.459732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.459732 (E_RNA) where: Base-Base interactions energy: -1206.809 where: short stacking energy: -542.964 Base-Backbone interact. energy: -1.097 local terms energy: -548.554448 where: bonds (distance) C4'-P energy: -99.154 bonds (distance) P-C4' energy: -109.327 flat angles C4'-P-C4' energy: -127.341 flat angles P-C4'-P energy: -71.344 tors. eta vs tors. theta energy: -141.389 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: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1505.686502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.686502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.686502 (E_RNA) where: Base-Base interactions energy: -1024.927 where: short stacking energy: -450.607 Base-Backbone interact. energy: -1.722 local terms energy: -479.037016 where: bonds (distance) C4'-P energy: -94.335 bonds (distance) P-C4' energy: -120.528 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -83.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1046.268515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.268515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.268515 (E_RNA) where: Base-Base interactions energy: -628.547 where: short stacking energy: -296.774 Base-Backbone interact. energy: -0.692 local terms energy: -417.029450 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -109.126 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -22.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2494.111307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.111307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.111307 (E_RNA) where: Base-Base interactions energy: -1752.448 where: short stacking energy: -731.080 Base-Backbone interact. energy: -4.207 local terms energy: -737.456636 where: bonds (distance) C4'-P energy: -142.665 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -146.665 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -200.616 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: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2413.103294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.103294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.103294 (E_RNA) where: Base-Base interactions energy: -1689.010 where: short stacking energy: -726.923 Base-Backbone interact. energy: -2.199 local terms energy: -721.894319 where: bonds (distance) C4'-P energy: -118.221 bonds (distance) P-C4' energy: -146.386 flat angles C4'-P-C4' energy: -150.737 flat angles P-C4'-P energy: -102.789 tors. eta vs tors. theta energy: -203.761 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: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2368.798101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.798101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.798101 (E_RNA) where: Base-Base interactions energy: -1660.695 where: short stacking energy: -718.298 Base-Backbone interact. energy: -1.485 local terms energy: -706.617660 where: bonds (distance) C4'-P energy: -123.501 bonds (distance) P-C4' energy: -127.460 flat angles C4'-P-C4' energy: -154.802 flat angles P-C4'-P energy: -91.611 tors. eta vs tors. theta energy: -209.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2227.353307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.353307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.353307 (E_RNA) where: Base-Base interactions energy: -1527.653 where: short stacking energy: -649.734 Base-Backbone interact. energy: -2.458 local terms energy: -697.242168 where: bonds (distance) C4'-P energy: -129.527 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -145.910 flat angles P-C4'-P energy: -97.227 tors. eta vs tors. theta energy: -179.659 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: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2075.111509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.111509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.111509 (E_RNA) where: Base-Base interactions energy: -1442.703 where: short stacking energy: -625.644 Base-Backbone interact. energy: -0.640 local terms energy: -631.768256 where: bonds (distance) C4'-P energy: -99.641 bonds (distance) P-C4' energy: -122.542 flat angles C4'-P-C4' energy: -143.335 flat angles P-C4'-P energy: -97.875 tors. eta vs tors. theta energy: -168.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1986.606713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.606713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.606713 (E_RNA) where: Base-Base interactions energy: -1378.821 where: short stacking energy: -588.887 Base-Backbone interact. energy: -3.145 local terms energy: -604.640197 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -109.765 flat angles C4'-P-C4' energy: -131.638 flat angles P-C4'-P energy: -78.405 tors. eta vs tors. theta energy: -150.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1844.413952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.413952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.413952 (E_RNA) where: Base-Base interactions energy: -1259.393 where: short stacking energy: -566.758 Base-Backbone interact. energy: -1.236 local terms energy: -583.785545 where: bonds (distance) C4'-P energy: -118.782 bonds (distance) P-C4' energy: -113.609 flat angles C4'-P-C4' energy: -134.400 flat angles P-C4'-P energy: -84.439 tors. eta vs tors. theta energy: -132.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1749.432668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.432668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.432668 (E_RNA) where: Base-Base interactions energy: -1176.769 where: short stacking energy: -518.694 Base-Backbone interact. energy: 1.335 local terms energy: -573.998969 where: bonds (distance) C4'-P energy: -111.057 bonds (distance) P-C4' energy: -122.924 flat angles C4'-P-C4' energy: -122.575 flat angles P-C4'-P energy: -84.884 tors. eta vs tors. theta energy: -132.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1459.519243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.519243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.519243 (E_RNA) where: Base-Base interactions energy: -984.891 where: short stacking energy: -439.984 Base-Backbone interact. energy: 0.035 local terms energy: -474.663390 where: bonds (distance) C4'-P energy: -103.501 bonds (distance) P-C4' energy: -116.608 flat angles C4'-P-C4' energy: -98.155 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -84.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -964.976263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.976263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.976263 (E_RNA) where: Base-Base interactions energy: -584.336 where: short stacking energy: -278.688 Base-Backbone interact. energy: 5.925 local terms energy: -386.564936 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -88.004 flat angles C4'-P-C4' energy: -109.649 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: -26.995 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: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2493.131191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.131191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.131191 (E_RNA) where: Base-Base interactions energy: -1755.879 where: short stacking energy: -741.433 Base-Backbone interact. energy: -1.831 local terms energy: -735.420448 where: bonds (distance) C4'-P energy: -136.970 bonds (distance) P-C4' energy: -149.033 flat angles C4'-P-C4' energy: -158.638 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -189.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2452.500705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.500705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.500705 (E_RNA) where: Base-Base interactions energy: -1688.005 where: short stacking energy: -716.407 Base-Backbone interact. energy: -3.684 local terms energy: -760.812317 where: bonds (distance) C4'-P energy: -137.197 bonds (distance) P-C4' energy: -139.440 flat angles C4'-P-C4' energy: -152.775 flat angles P-C4'-P energy: -118.672 tors. eta vs tors. theta energy: -212.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2376.714621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.714621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.714621 (E_RNA) where: Base-Base interactions energy: -1638.594 where: short stacking energy: -732.624 Base-Backbone interact. energy: 3.816 local terms energy: -741.937267 where: bonds (distance) C4'-P energy: -126.416 bonds (distance) P-C4' energy: -132.842 flat angles C4'-P-C4' energy: -163.494 flat angles P-C4'-P energy: -102.849 tors. eta vs tors. theta energy: -216.336 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: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2204.580812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.580812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.580812 (E_RNA) where: Base-Base interactions energy: -1538.548 where: short stacking energy: -680.663 Base-Backbone interact. energy: -4.117 local terms energy: -661.915660 where: bonds (distance) C4'-P energy: -125.404 bonds (distance) P-C4' energy: -128.592 flat angles C4'-P-C4' energy: -148.583 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -177.305 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: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2104.624883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.624883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.624883 (E_RNA) where: Base-Base interactions energy: -1427.342 where: short stacking energy: -643.675 Base-Backbone interact. energy: -1.511 local terms energy: -675.771047 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -131.926 flat angles C4'-P-C4' energy: -150.720 flat angles P-C4'-P energy: -84.205 tors. eta vs tors. theta energy: -169.031 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: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2009.426462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.426462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.426462 (E_RNA) where: Base-Base interactions energy: -1384.236 where: short stacking energy: -607.975 Base-Backbone interact. energy: -1.759 local terms energy: -623.430984 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -127.849 flat angles C4'-P-C4' energy: -141.943 flat angles P-C4'-P energy: -92.027 tors. eta vs tors. theta energy: -152.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1843.142397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.142397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.142397 (E_RNA) where: Base-Base interactions energy: -1214.808 where: short stacking energy: -537.766 Base-Backbone interact. energy: -1.198 local terms energy: -627.136821 where: bonds (distance) C4'-P energy: -134.495 bonds (distance) P-C4' energy: -117.413 flat angles C4'-P-C4' energy: -149.747 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -133.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1735.857017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.857017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.857017 (E_RNA) where: Base-Base interactions energy: -1206.678 where: short stacking energy: -513.893 Base-Backbone interact. energy: -1.749 local terms energy: -527.429565 where: bonds (distance) C4'-P energy: -80.411 bonds (distance) P-C4' energy: -112.365 flat angles C4'-P-C4' energy: -135.543 flat angles P-C4'-P energy: -87.106 tors. eta vs tors. theta energy: -112.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1617.042835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.042835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.042835 (E_RNA) where: Base-Base interactions energy: -1119.494 where: short stacking energy: -454.285 Base-Backbone interact. energy: -0.608 local terms energy: -496.940045 where: bonds (distance) C4'-P energy: -117.775 bonds (distance) P-C4' energy: -103.341 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -68.446 tors. eta vs tors. theta energy: -93.174 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: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -976.468136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.468136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.468136 (E_RNA) where: Base-Base interactions energy: -541.625 where: short stacking energy: -291.197 Base-Backbone interact. energy: 0.229 local terms energy: -435.072011 where: bonds (distance) C4'-P energy: -108.542 bonds (distance) P-C4' energy: -116.141 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -55.469 tors. eta vs tors. theta energy: -33.646 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: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2456.032177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.032177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.032177 (E_RNA) where: Base-Base interactions energy: -1733.550 where: short stacking energy: -717.416 Base-Backbone interact. energy: 5.860 local terms energy: -728.341956 where: bonds (distance) C4'-P energy: -134.901 bonds (distance) P-C4' energy: -140.354 flat angles C4'-P-C4' energy: -154.065 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -192.813 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: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2429.500333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.500333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.500333 (E_RNA) where: Base-Base interactions energy: -1695.897 where: short stacking energy: -732.563 Base-Backbone interact. energy: -4.821 local terms energy: -728.782603 where: bonds (distance) C4'-P energy: -125.135 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -158.268 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -215.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2371.036219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.036219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.036219 (E_RNA) where: Base-Base interactions energy: -1657.675 where: short stacking energy: -727.147 Base-Backbone interact. energy: 0.348 local terms energy: -713.710022 where: bonds (distance) C4'-P energy: -105.672 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -156.845 flat angles P-C4'-P energy: -100.523 tors. eta vs tors. theta energy: -213.398 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: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2194.981514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.981514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.981514 (E_RNA) where: Base-Base interactions energy: -1532.328 where: short stacking energy: -655.369 Base-Backbone interact. energy: -1.309 local terms energy: -661.344639 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -137.847 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -170.911 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: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2109.492295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.492295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.492295 (E_RNA) where: Base-Base interactions energy: -1474.920 where: short stacking energy: -645.477 Base-Backbone interact. energy: 3.244 local terms energy: -637.816241 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -151.894 flat angles C4'-P-C4' energy: -125.612 flat angles P-C4'-P energy: -90.904 tors. eta vs tors. theta energy: -159.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1962.456637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.456637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.456637 (E_RNA) where: Base-Base interactions energy: -1348.845 where: short stacking energy: -577.879 Base-Backbone interact. energy: -1.657 local terms energy: -611.954705 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -131.421 flat angles C4'-P-C4' energy: -137.458 flat angles P-C4'-P energy: -76.224 tors. eta vs tors. theta energy: -150.595 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: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1787.080126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.080126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.080126 (E_RNA) where: Base-Base interactions energy: -1239.373 where: short stacking energy: -537.569 Base-Backbone interact. energy: 4.411 local terms energy: -552.117842 where: bonds (distance) C4'-P energy: -99.446 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -121.678 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -137.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1630.348602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.348602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.348602 (E_RNA) where: Base-Base interactions energy: -1096.713 where: short stacking energy: -481.581 Base-Backbone interact. energy: -3.128 local terms energy: -530.507251 where: bonds (distance) C4'-P energy: -91.628 bonds (distance) P-C4' energy: -129.635 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -85.412 tors. eta vs tors. theta energy: -99.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1658.905800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.905800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.905800 (E_RNA) where: Base-Base interactions energy: -1143.762 where: short stacking energy: -483.008 Base-Backbone interact. energy: 0.966 local terms energy: -516.109733 where: bonds (distance) C4'-P energy: -95.390 bonds (distance) P-C4' energy: -126.948 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -110.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1034.314192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.314192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.314192 (E_RNA) where: Base-Base interactions energy: -642.119 where: short stacking energy: -322.289 Base-Backbone interact. energy: 0.242 local terms energy: -392.436834 where: bonds (distance) C4'-P energy: -117.113 bonds (distance) P-C4' energy: -83.445 flat angles C4'-P-C4' energy: -111.012 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -32.748 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: 216 Temperature: 0.900000 Total energy: -2465.187742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.187742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.187742 (E_RNA) where: Base-Base interactions energy: -1750.910 where: short stacking energy: -695.778 Base-Backbone interact. energy: 2.771 local terms energy: -717.049121 where: bonds (distance) C4'-P energy: -124.775 bonds (distance) P-C4' energy: -135.515 flat angles C4'-P-C4' energy: -156.956 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -195.548 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: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2388.056013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.056013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.056013 (E_RNA) where: Base-Base interactions energy: -1689.272 where: short stacking energy: -743.336 Base-Backbone interact. energy: -2.479 local terms energy: -696.305352 where: bonds (distance) C4'-P energy: -129.449 bonds (distance) P-C4' energy: -141.904 flat angles C4'-P-C4' energy: -136.942 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -198.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2401.236321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.236321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.236321 (E_RNA) where: Base-Base interactions energy: -1640.584 where: short stacking energy: -753.757 Base-Backbone interact. energy: -1.302 local terms energy: -759.350136 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -147.577 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -106.141 tors. eta vs tors. theta energy: -213.197 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: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2204.549048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.549048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.549048 (E_RNA) where: Base-Base interactions energy: -1525.897 where: short stacking energy: -640.264 Base-Backbone interact. energy: -2.984 local terms energy: -675.668984 where: bonds (distance) C4'-P energy: -123.215 bonds (distance) P-C4' energy: -139.493 flat angles C4'-P-C4' energy: -151.244 flat angles P-C4'-P energy: -91.637 tors. eta vs tors. theta energy: -170.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2101.770263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.770263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.770263 (E_RNA) where: Base-Base interactions energy: -1453.253 where: short stacking energy: -627.031 Base-Backbone interact. energy: -2.317 local terms energy: -646.200165 where: bonds (distance) C4'-P energy: -119.935 bonds (distance) P-C4' energy: -120.079 flat angles C4'-P-C4' energy: -141.440 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -172.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1987.238268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.238268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.238268 (E_RNA) where: Base-Base interactions energy: -1396.493 where: short stacking energy: -602.452 Base-Backbone interact. energy: -1.436 local terms energy: -589.308973 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -134.511 flat angles C4'-P-C4' energy: -125.724 flat angles P-C4'-P energy: -67.862 tors. eta vs tors. theta energy: -149.497 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: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1805.455092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.455092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.455092 (E_RNA) where: Base-Base interactions energy: -1229.367 where: short stacking energy: -552.608 Base-Backbone interact. energy: -1.770 local terms energy: -574.318329 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -113.586 flat angles C4'-P-C4' energy: -118.491 flat angles P-C4'-P energy: -85.920 tors. eta vs tors. theta energy: -118.706 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: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1595.975105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.975105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.975105 (E_RNA) where: Base-Base interactions energy: -1098.369 where: short stacking energy: -461.498 Base-Backbone interact. energy: -0.863 local terms energy: -496.742367 where: bonds (distance) C4'-P energy: -102.074 bonds (distance) P-C4' energy: -121.971 flat angles C4'-P-C4' energy: -115.476 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -86.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1650.301314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.301314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.301314 (E_RNA) where: Base-Base interactions energy: -1127.037 where: short stacking energy: -495.279 Base-Backbone interact. energy: -0.362 local terms energy: -522.901647 where: bonds (distance) C4'-P energy: -89.391 bonds (distance) P-C4' energy: -127.194 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -61.864 tors. eta vs tors. theta energy: -130.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1055.114240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.114240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.114240 (E_RNA) where: Base-Base interactions energy: -645.154 where: short stacking energy: -317.146 Base-Backbone interact. energy: -3.482 local terms energy: -406.478453 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -110.567 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -24.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2479.827789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.827789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.827789 (E_RNA) where: Base-Base interactions energy: -1758.612 where: short stacking energy: -717.671 Base-Backbone interact. energy: -4.300 local terms energy: -716.915641 where: bonds (distance) C4'-P energy: -135.569 bonds (distance) P-C4' energy: -124.159 flat angles C4'-P-C4' energy: -162.128 flat angles P-C4'-P energy: -106.690 tors. eta vs tors. theta energy: -188.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2458.159948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.159948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.159948 (E_RNA) where: Base-Base interactions energy: -1730.367 where: short stacking energy: -771.607 Base-Backbone interact. energy: -2.141 local terms energy: -725.652593 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -132.773 flat angles C4'-P-C4' energy: -148.261 flat angles P-C4'-P energy: -100.633 tors. eta vs tors. theta energy: -216.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2377.183659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.183659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.183659 (E_RNA) where: Base-Base interactions energy: -1650.158 where: short stacking energy: -712.688 Base-Backbone interact. energy: -1.837 local terms energy: -725.189069 where: bonds (distance) C4'-P energy: -121.850 bonds (distance) P-C4' energy: -142.009 flat angles C4'-P-C4' energy: -151.711 flat angles P-C4'-P energy: -109.154 tors. eta vs tors. theta energy: -200.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2167.649517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.649517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.649517 (E_RNA) where: Base-Base interactions energy: -1529.530 where: short stacking energy: -646.908 Base-Backbone interact. energy: -2.187 local terms energy: -635.932151 where: bonds (distance) C4'-P energy: -109.924 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -137.800 flat angles P-C4'-P energy: -90.406 tors. eta vs tors. theta energy: -164.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2113.751673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.751673 (E_RNA) where: Base-Base interactions energy: -1472.771 where: short stacking energy: -607.390 Base-Backbone interact. energy: -3.473 local terms energy: -637.507580 where: bonds (distance) C4'-P energy: -132.533 bonds (distance) P-C4' energy: -120.993 flat angles C4'-P-C4' energy: -136.500 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -157.999 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: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1969.237249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.237249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.237249 (E_RNA) where: Base-Base interactions energy: -1327.448 where: short stacking energy: -589.079 Base-Backbone interact. energy: -3.442 local terms energy: -638.347420 where: bonds (distance) C4'-P energy: -121.400 bonds (distance) P-C4' energy: -124.081 flat angles C4'-P-C4' energy: -145.955 flat angles P-C4'-P energy: -83.885 tors. eta vs tors. theta energy: -163.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1767.022192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.022192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.022192 (E_RNA) where: Base-Base interactions energy: -1187.434 where: short stacking energy: -525.919 Base-Backbone interact. energy: 1.064 local terms energy: -580.652436 where: bonds (distance) C4'-P energy: -133.443 bonds (distance) P-C4' energy: -120.765 flat angles C4'-P-C4' energy: -116.858 flat angles P-C4'-P energy: -81.329 tors. eta vs tors. theta energy: -128.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1610.370935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.370935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.370935 (E_RNA) where: Base-Base interactions energy: -1128.911 where: short stacking energy: -504.182 Base-Backbone interact. energy: 0.692 local terms energy: -482.152526 where: bonds (distance) C4'-P energy: -89.640 bonds (distance) P-C4' energy: -100.491 flat angles C4'-P-C4' energy: -113.166 flat angles P-C4'-P energy: -68.268 tors. eta vs tors. theta energy: -110.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1602.242861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.242861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.242861 (E_RNA) where: Base-Base interactions energy: -1104.268 where: short stacking energy: -462.459 Base-Backbone interact. energy: 1.315 local terms energy: -499.290294 where: bonds (distance) C4'-P energy: -107.645 bonds (distance) P-C4' energy: -108.528 flat angles C4'-P-C4' energy: -124.621 flat angles P-C4'-P energy: -59.342 tors. eta vs tors. theta energy: -99.155 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -973.915689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.915689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.915689 (E_RNA) where: Base-Base interactions energy: -563.591 where: short stacking energy: -291.693 Base-Backbone interact. energy: -2.673 local terms energy: -407.651591 where: bonds (distance) C4'-P energy: -116.798 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -112.534 flat angles P-C4'-P energy: -54.158 tors. eta vs tors. theta energy: -24.426 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: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2474.356830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.356830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.356830 (E_RNA) where: Base-Base interactions energy: -1757.418 where: short stacking energy: -705.356 Base-Backbone interact. energy: -1.185 local terms energy: -715.753982 where: bonds (distance) C4'-P energy: -132.725 bonds (distance) P-C4' energy: -128.822 flat angles C4'-P-C4' energy: -150.779 flat angles P-C4'-P energy: -113.921 tors. eta vs tors. theta energy: -189.508 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: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2435.996338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.996338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.996338 (E_RNA) where: Base-Base interactions energy: -1704.528 where: short stacking energy: -750.073 Base-Backbone interact. energy: -2.026 local terms energy: -729.442287 where: bonds (distance) C4'-P energy: -125.330 bonds (distance) P-C4' energy: -129.140 flat angles C4'-P-C4' energy: -155.261 flat angles P-C4'-P energy: -103.946 tors. eta vs tors. theta energy: -215.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2349.166018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.166018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.166018 (E_RNA) where: Base-Base interactions energy: -1621.401 where: short stacking energy: -711.727 Base-Backbone interact. energy: -3.606 local terms energy: -724.158881 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -127.706 flat angles C4'-P-C4' energy: -156.454 flat angles P-C4'-P energy: -108.097 tors. eta vs tors. theta energy: -190.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2134.006437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.006437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.006437 (E_RNA) where: Base-Base interactions energy: -1490.981 where: short stacking energy: -640.378 Base-Backbone interact. energy: 1.711 local terms energy: -644.736509 where: bonds (distance) C4'-P energy: -125.573 bonds (distance) P-C4' energy: -126.403 flat angles C4'-P-C4' energy: -138.409 flat angles P-C4'-P energy: -91.180 tors. eta vs tors. theta energy: -163.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2092.181223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.181223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.181223 (E_RNA) where: Base-Base interactions energy: -1441.687 where: short stacking energy: -643.465 Base-Backbone interact. energy: -1.978 local terms energy: -648.516171 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -136.469 flat angles P-C4'-P energy: -99.064 tors. eta vs tors. theta energy: -167.894 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: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1973.720330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.720330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.720330 (E_RNA) where: Base-Base interactions energy: -1355.822 where: short stacking energy: -589.015 Base-Backbone interact. energy: -2.368 local terms energy: -615.530867 where: bonds (distance) C4'-P energy: -107.498 bonds (distance) P-C4' energy: -117.845 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -95.770 tors. eta vs tors. theta energy: -150.829 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: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1781.530129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.530129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.530129 (E_RNA) where: Base-Base interactions energy: -1225.124 where: short stacking energy: -542.563 Base-Backbone interact. energy: -1.263 local terms energy: -555.143761 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -126.301 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -125.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1647.188691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.188691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.188691 (E_RNA) where: Base-Base interactions energy: -1126.655 where: short stacking energy: -477.532 Base-Backbone interact. energy: -1.356 local terms energy: -519.177998 where: bonds (distance) C4'-P energy: -97.655 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -117.893 flat angles P-C4'-P energy: -86.058 tors. eta vs tors. theta energy: -106.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1596.079039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.079039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.079039 (E_RNA) where: Base-Base interactions energy: -1123.259 where: short stacking energy: -473.887 Base-Backbone interact. energy: -2.539 local terms energy: -472.398776 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -107.451 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -105.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.118 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1004.542039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.542039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.542039 (E_RNA) where: Base-Base interactions energy: -619.634 where: short stacking energy: -317.013 Base-Backbone interact. energy: 2.605 local terms energy: -387.512928 where: bonds (distance) C4'-P energy: -88.605 bonds (distance) P-C4' energy: -109.183 flat angles C4'-P-C4' energy: -103.239 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -38.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2483.575268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.575268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.575268 (E_RNA) where: Base-Base interactions energy: -1768.673 where: short stacking energy: -710.430 Base-Backbone interact. energy: 5.186 local terms energy: -720.088395 where: bonds (distance) C4'-P energy: -133.747 bonds (distance) P-C4' energy: -135.528 flat angles C4'-P-C4' energy: -154.241 flat angles P-C4'-P energy: -102.883 tors. eta vs tors. theta energy: -193.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2429.596418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.596418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.596418 (E_RNA) where: Base-Base interactions energy: -1689.493 where: short stacking energy: -712.624 Base-Backbone interact. energy: -2.367 local terms energy: -737.736179 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -138.654 flat angles C4'-P-C4' energy: -155.733 flat angles P-C4'-P energy: -107.346 tors. eta vs tors. theta energy: -200.896 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: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2405.642933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.642933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.642933 (E_RNA) where: Base-Base interactions energy: -1689.259 where: short stacking energy: -746.384 Base-Backbone interact. energy: -3.093 local terms energy: -713.291023 where: bonds (distance) C4'-P energy: -115.112 bonds (distance) P-C4' energy: -133.788 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -108.682 tors. eta vs tors. theta energy: -204.245 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: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2154.880847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.880847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.880847 (E_RNA) where: Base-Base interactions energy: -1491.202 where: short stacking energy: -636.753 Base-Backbone interact. energy: -0.345 local terms energy: -663.333872 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -138.993 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -163.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2126.461826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.461826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.461826 (E_RNA) where: Base-Base interactions energy: -1490.774 where: short stacking energy: -638.301 Base-Backbone interact. energy: -1.968 local terms energy: -633.719477 where: bonds (distance) C4'-P energy: -107.692 bonds (distance) P-C4' energy: -125.239 flat angles C4'-P-C4' energy: -136.803 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: -181.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2041.548353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.548353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.548353 (E_RNA) where: Base-Base interactions energy: -1431.526 where: short stacking energy: -623.839 Base-Backbone interact. energy: 1.507 local terms energy: -611.529475 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -128.050 flat angles C4'-P-C4' energy: -132.521 flat angles P-C4'-P energy: -88.375 tors. eta vs tors. theta energy: -150.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1795.034957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.034957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.034957 (E_RNA) where: Base-Base interactions energy: -1201.518 where: short stacking energy: -551.265 Base-Backbone interact. energy: -0.809 local terms energy: -592.707437 where: bonds (distance) C4'-P energy: -117.641 bonds (distance) P-C4' energy: -115.918 flat angles C4'-P-C4' energy: -126.396 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -132.547 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: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1652.133689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.133689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.133689 (E_RNA) where: Base-Base interactions energy: -1100.136 where: short stacking energy: -499.974 Base-Backbone interact. energy: -5.816 local terms energy: -546.182145 where: bonds (distance) C4'-P energy: -112.688 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -73.682 tors. eta vs tors. theta energy: -119.097 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1625.351853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.351853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.351853 (E_RNA) where: Base-Base interactions energy: -1148.938 where: short stacking energy: -499.809 Base-Backbone interact. energy: 3.827 local terms energy: -482.220680 where: bonds (distance) C4'-P energy: -92.153 bonds (distance) P-C4' energy: -113.735 flat angles C4'-P-C4' energy: -116.877 flat angles P-C4'-P energy: -62.177 tors. eta vs tors. theta energy: -97.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.980 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -950.033592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.033592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.033592 (E_RNA) where: Base-Base interactions energy: -572.248 where: short stacking energy: -281.562 Base-Backbone interact. energy: -0.828 local terms energy: -376.957781 where: bonds (distance) C4'-P energy: -101.103 bonds (distance) P-C4' energy: -103.368 flat angles C4'-P-C4' energy: -94.573 flat angles P-C4'-P energy: -69.047 tors. eta vs tors. theta energy: -8.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2500.736804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.736804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.736804 (E_RNA) where: Base-Base interactions energy: -1770.038 where: short stacking energy: -711.480 Base-Backbone interact. energy: 4.996 local terms energy: -735.694687 where: bonds (distance) C4'-P energy: -131.674 bonds (distance) P-C4' energy: -145.277 flat angles C4'-P-C4' energy: -156.809 flat angles P-C4'-P energy: -111.804 tors. eta vs tors. theta energy: -190.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2435.154388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.154388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.154388 (E_RNA) where: Base-Base interactions energy: -1733.132 where: short stacking energy: -743.971 Base-Backbone interact. energy: -1.054 local terms energy: -700.968322 where: bonds (distance) C4'-P energy: -122.419 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -147.718 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -191.101 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: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2385.804796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.804796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.804796 (E_RNA) where: Base-Base interactions energy: -1652.112 where: short stacking energy: -742.171 Base-Backbone interact. energy: -3.997 local terms energy: -729.695758 where: bonds (distance) C4'-P energy: -129.592 bonds (distance) P-C4' energy: -130.161 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -211.416 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: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2154.870058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.870058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.870058 (E_RNA) where: Base-Base interactions energy: -1492.903 where: short stacking energy: -629.429 Base-Backbone interact. energy: 1.778 local terms energy: -663.745420 where: bonds (distance) C4'-P energy: -115.852 bonds (distance) P-C4' energy: -143.824 flat angles C4'-P-C4' energy: -141.237 flat angles P-C4'-P energy: -100.871 tors. eta vs tors. theta energy: -161.961 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: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2135.690471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.690471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.690471 (E_RNA) where: Base-Base interactions energy: -1505.397 where: short stacking energy: -634.157 Base-Backbone interact. energy: -3.591 local terms energy: -626.702458 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -132.214 flat angles C4'-P-C4' energy: -140.358 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -166.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2022.451726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.451726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.451726 (E_RNA) where: Base-Base interactions energy: -1381.634 where: short stacking energy: -611.832 Base-Backbone interact. energy: 2.577 local terms energy: -643.395224 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -118.745 flat angles C4'-P-C4' energy: -134.985 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -163.729 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: 220 Temperature: 1.200000 Total energy: -1772.343392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.343392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.343392 (E_RNA) where: Base-Base interactions energy: -1209.417 where: short stacking energy: -545.747 Base-Backbone interact. energy: -1.247 local terms energy: -561.679319 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -124.469 flat angles P-C4'-P energy: -66.109 tors. eta vs tors. theta energy: -134.598 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: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1615.648092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.648092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.648092 (E_RNA) where: Base-Base interactions energy: -1120.588 where: short stacking energy: -475.300 Base-Backbone interact. energy: -1.696 local terms energy: -493.363864 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -110.779 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: -100.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1544.318261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.318261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.318261 (E_RNA) where: Base-Base interactions energy: -1072.464 where: short stacking energy: -446.650 Base-Backbone interact. energy: 0.765 local terms energy: -472.618646 where: bonds (distance) C4'-P energy: -93.842 bonds (distance) P-C4' energy: -114.230 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -75.180 tors. eta vs tors. theta energy: -91.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1040.306564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.306564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.306564 (E_RNA) where: Base-Base interactions energy: -651.035 where: short stacking energy: -294.370 Base-Backbone interact. energy: -0.406 local terms energy: -388.865112 where: bonds (distance) C4'-P energy: -91.487 bonds (distance) P-C4' energy: -119.251 flat angles C4'-P-C4' energy: -102.508 flat angles P-C4'-P energy: -65.092 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: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2508.957278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.957278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.957278 (E_RNA) where: Base-Base interactions energy: -1790.132 where: short stacking energy: -735.565 Base-Backbone interact. energy: 0.187 local terms energy: -719.012324 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -127.355 flat angles C4'-P-C4' energy: -156.405 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -197.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2453.420147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.420147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.420147 (E_RNA) where: Base-Base interactions energy: -1722.460 where: short stacking energy: -755.736 Base-Backbone interact. energy: -2.360 local terms energy: -728.599766 where: bonds (distance) C4'-P energy: -129.863 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -150.811 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -207.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2373.812883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.812883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.812883 (E_RNA) where: Base-Base interactions energy: -1655.925 where: short stacking energy: -733.095 Base-Backbone interact. energy: -3.427 local terms energy: -714.461104 where: bonds (distance) C4'-P energy: -116.663 bonds (distance) P-C4' energy: -140.519 flat angles C4'-P-C4' energy: -148.668 flat angles P-C4'-P energy: -97.437 tors. eta vs tors. theta energy: -211.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2148.396629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.396629 (E_RNA) where: Base-Base interactions energy: -1483.431 where: short stacking energy: -630.309 Base-Backbone interact. energy: -3.937 local terms energy: -661.028768 where: bonds (distance) C4'-P energy: -118.104 bonds (distance) P-C4' energy: -122.891 flat angles C4'-P-C4' energy: -156.033 flat angles P-C4'-P energy: -96.859 tors. eta vs tors. theta energy: -167.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2094.488304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.488304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.488304 (E_RNA) where: Base-Base interactions energy: -1476.075 where: short stacking energy: -635.179 Base-Backbone interact. energy: 0.478 local terms energy: -618.890928 where: bonds (distance) C4'-P energy: -106.695 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -98.305 tors. eta vs tors. theta energy: -174.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2021.715684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.715684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.715684 (E_RNA) where: Base-Base interactions energy: -1396.015 where: short stacking energy: -593.422 Base-Backbone interact. energy: -1.097 local terms energy: -624.603232 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -166.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1819.221373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.221373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.221373 (E_RNA) where: Base-Base interactions energy: -1254.085 where: short stacking energy: -565.710 Base-Backbone interact. energy: -3.058 local terms energy: -562.078168 where: bonds (distance) C4'-P energy: -110.670 bonds (distance) P-C4' energy: -112.778 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -77.068 tors. eta vs tors. theta energy: -142.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1633.561138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.561138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.561138 (E_RNA) where: Base-Base interactions energy: -1127.400 where: short stacking energy: -485.946 Base-Backbone interact. energy: 1.482 local terms energy: -507.642848 where: bonds (distance) C4'-P energy: -88.360 bonds (distance) P-C4' energy: -128.241 flat angles C4'-P-C4' energy: -123.756 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: -107.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1531.823576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.823576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.823576 (E_RNA) where: Base-Base interactions energy: -1038.501 where: short stacking energy: -438.996 Base-Backbone interact. energy: -2.420 local terms energy: -490.903270 where: bonds (distance) C4'-P energy: -106.038 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -120.398 flat angles P-C4'-P energy: -72.517 tors. eta vs tors. theta energy: -71.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -998.334832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.334832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.334832 (E_RNA) where: Base-Base interactions energy: -622.181 where: short stacking energy: -257.997 Base-Backbone interact. energy: 1.982 local terms energy: -378.135820 where: bonds (distance) C4'-P energy: -95.978 bonds (distance) P-C4' energy: -95.870 flat angles C4'-P-C4' energy: -94.751 flat angles P-C4'-P energy: -73.748 tors. eta vs tors. theta energy: -17.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2495.468876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.468876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.468876 (E_RNA) where: Base-Base interactions energy: -1778.987 where: short stacking energy: -729.004 Base-Backbone interact. energy: 2.362 local terms energy: -718.844061 where: bonds (distance) C4'-P energy: -127.893 bonds (distance) P-C4' energy: -130.601 flat angles C4'-P-C4' energy: -154.517 flat angles P-C4'-P energy: -102.886 tors. eta vs tors. theta energy: -202.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2424.533285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.533285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.533285 (E_RNA) where: Base-Base interactions energy: -1682.369 where: short stacking energy: -740.832 Base-Backbone interact. energy: -4.130 local terms energy: -738.033664 where: bonds (distance) C4'-P energy: -130.886 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -164.583 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -206.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2346.506703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.506703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.506703 (E_RNA) where: Base-Base interactions energy: -1668.962 where: short stacking energy: -738.627 Base-Backbone interact. energy: -0.843 local terms energy: -676.701300 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -115.117 flat angles C4'-P-C4' energy: -134.831 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -198.019 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: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2141.181384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.181384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.181384 (E_RNA) where: Base-Base interactions energy: -1499.433 where: short stacking energy: -672.668 Base-Backbone interact. energy: -1.487 local terms energy: -640.261438 where: bonds (distance) C4'-P energy: -126.600 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -175.152 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: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2108.971979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.971979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.971979 (E_RNA) where: Base-Base interactions energy: -1453.629 where: short stacking energy: -641.589 Base-Backbone interact. energy: 0.976 local terms energy: -656.319262 where: bonds (distance) C4'-P energy: -107.279 bonds (distance) P-C4' energy: -129.690 flat angles C4'-P-C4' energy: -146.970 flat angles P-C4'-P energy: -104.186 tors. eta vs tors. theta energy: -168.193 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: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1988.836313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.836313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.836313 (E_RNA) where: Base-Base interactions energy: -1402.689 where: short stacking energy: -580.733 Base-Backbone interact. energy: -1.883 local terms energy: -584.264790 where: bonds (distance) C4'-P energy: -97.943 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -143.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1744.749775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.749775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.749775 (E_RNA) where: Base-Base interactions energy: -1187.960 where: short stacking energy: -553.750 Base-Backbone interact. energy: -2.758 local terms energy: -554.031486 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -118.634 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -134.373 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: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1703.229309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.229309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.229309 (E_RNA) where: Base-Base interactions energy: -1165.281 where: short stacking energy: -512.077 Base-Backbone interact. energy: -0.350 local terms energy: -537.598956 where: bonds (distance) C4'-P energy: -107.649 bonds (distance) P-C4' energy: -124.333 flat angles C4'-P-C4' energy: -117.231 flat angles P-C4'-P energy: -71.382 tors. eta vs tors. theta energy: -117.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1519.519799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.519799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.519799 (E_RNA) where: Base-Base interactions energy: -1058.042 where: short stacking energy: -457.667 Base-Backbone interact. energy: 4.781 local terms energy: -466.258320 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -119.365 flat angles C4'-P-C4' energy: -103.234 flat angles P-C4'-P energy: -56.926 tors. eta vs tors. theta energy: -84.466 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: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -982.404641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.404641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.404641 (E_RNA) where: Base-Base interactions energy: -585.826 where: short stacking energy: -302.806 Base-Backbone interact. energy: 0.124 local terms energy: -396.703032 where: bonds (distance) C4'-P energy: -110.507 bonds (distance) P-C4' energy: -109.730 flat angles C4'-P-C4' energy: -88.954 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -36.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2511.311674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.311674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.311674 (E_RNA) where: Base-Base interactions energy: -1773.922 where: short stacking energy: -727.007 Base-Backbone interact. energy: 2.559 local terms energy: -739.948906 where: bonds (distance) C4'-P energy: -130.497 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -168.233 flat angles P-C4'-P energy: -115.676 tors. eta vs tors. theta energy: -189.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2445.303810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.303810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.303810 (E_RNA) where: Base-Base interactions energy: -1694.157 where: short stacking energy: -731.467 Base-Backbone interact. energy: -1.932 local terms energy: -749.215138 where: bonds (distance) C4'-P energy: -134.286 bonds (distance) P-C4' energy: -140.280 flat angles C4'-P-C4' energy: -156.962 flat angles P-C4'-P energy: -108.891 tors. eta vs tors. theta energy: -208.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2383.456317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.456317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.456317 (E_RNA) where: Base-Base interactions energy: -1639.021 where: short stacking energy: -736.506 Base-Backbone interact. energy: -4.454 local terms energy: -739.981855 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -136.040 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -112.590 tors. eta vs tors. theta energy: -215.513 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: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2103.189764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.189764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.189764 (E_RNA) where: Base-Base interactions energy: -1447.693 where: short stacking energy: -633.329 Base-Backbone interact. energy: 2.074 local terms energy: -657.570132 where: bonds (distance) C4'-P energy: -132.138 bonds (distance) P-C4' energy: -133.975 flat angles C4'-P-C4' energy: -152.593 flat angles P-C4'-P energy: -82.270 tors. eta vs tors. theta energy: -156.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2145.979229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.979229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.979229 (E_RNA) where: Base-Base interactions energy: -1490.469 where: short stacking energy: -612.124 Base-Backbone interact. energy: -4.033 local terms energy: -651.477229 where: bonds (distance) C4'-P energy: -125.585 bonds (distance) P-C4' energy: -136.184 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -92.347 tors. eta vs tors. theta energy: -155.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2058.052618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.052618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.052618 (E_RNA) where: Base-Base interactions energy: -1453.371 where: short stacking energy: -614.187 Base-Backbone interact. energy: -2.852 local terms energy: -601.829665 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -119.151 flat angles C4'-P-C4' energy: -144.185 flat angles P-C4'-P energy: -69.855 tors. eta vs tors. theta energy: -157.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1756.188721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.188721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.188721 (E_RNA) where: Base-Base interactions energy: -1200.836 where: short stacking energy: -532.631 Base-Backbone interact. energy: -0.854 local terms energy: -554.498629 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -115.103 flat angles C4'-P-C4' energy: -124.164 flat angles P-C4'-P energy: -80.047 tors. eta vs tors. theta energy: -122.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1581.074396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.074396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.074396 (E_RNA) where: Base-Base interactions energy: -1055.663 where: short stacking energy: -457.867 Base-Backbone interact. energy: -1.486 local terms energy: -523.926135 where: bonds (distance) C4'-P energy: -104.347 bonds (distance) P-C4' energy: -115.064 flat angles C4'-P-C4' energy: -118.159 flat angles P-C4'-P energy: -82.287 tors. eta vs tors. theta energy: -104.070 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1396.076448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.076448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.076448 (E_RNA) where: Base-Base interactions energy: -904.849 where: short stacking energy: -401.687 Base-Backbone interact. energy: -1.246 local terms energy: -490.172337 where: bonds (distance) C4'-P energy: -85.467 bonds (distance) P-C4' energy: -119.784 flat angles C4'-P-C4' energy: -132.001 flat angles P-C4'-P energy: -71.851 tors. eta vs tors. theta energy: -81.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.191 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1018.224475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.224475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.224475 (E_RNA) where: Base-Base interactions energy: -592.256 where: short stacking energy: -285.637 Base-Backbone interact. energy: 0.535 local terms energy: -426.503397 where: bonds (distance) C4'-P energy: -106.526 bonds (distance) P-C4' energy: -113.388 flat angles C4'-P-C4' energy: -105.556 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -32.278 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: 224 Temperature: 0.900000 Total energy: -2504.822010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.822010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.822010 (E_RNA) where: Base-Base interactions energy: -1778.297 where: short stacking energy: -742.638 Base-Backbone interact. energy: 2.321 local terms energy: -728.845506 where: bonds (distance) C4'-P energy: -133.124 bonds (distance) P-C4' energy: -138.245 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -105.955 tors. eta vs tors. theta energy: -194.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2430.553497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.553497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.553497 (E_RNA) where: Base-Base interactions energy: -1697.999 where: short stacking energy: -744.098 Base-Backbone interact. energy: -5.472 local terms energy: -727.083071 where: bonds (distance) C4'-P energy: -135.675 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -160.454 flat angles P-C4'-P energy: -104.683 tors. eta vs tors. theta energy: -205.614 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: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2397.334343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.334343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.334343 (E_RNA) where: Base-Base interactions energy: -1693.597 where: short stacking energy: -723.291 Base-Backbone interact. energy: 0.016 local terms energy: -703.753316 where: bonds (distance) C4'-P energy: -135.170 bonds (distance) P-C4' energy: -117.824 flat angles C4'-P-C4' energy: -146.128 flat angles P-C4'-P energy: -95.333 tors. eta vs tors. theta energy: -209.298 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: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2117.640375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.640375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.640375 (E_RNA) where: Base-Base interactions energy: -1461.241 where: short stacking energy: -640.475 Base-Backbone interact. energy: -2.103 local terms energy: -654.297244 where: bonds (distance) C4'-P energy: -120.327 bonds (distance) P-C4' energy: -141.410 flat angles C4'-P-C4' energy: -142.144 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -171.788 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: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2122.968497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.968497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.968497 (E_RNA) where: Base-Base interactions energy: -1474.092 where: short stacking energy: -602.569 Base-Backbone interact. energy: -4.791 local terms energy: -644.084928 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -126.509 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -154.696 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1982.088191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.088191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.088191 (E_RNA) where: Base-Base interactions energy: -1404.584 where: short stacking energy: -597.160 Base-Backbone interact. energy: -1.556 local terms energy: -575.947559 where: bonds (distance) C4'-P energy: -99.839 bonds (distance) P-C4' energy: -104.152 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -87.177 tors. eta vs tors. theta energy: -148.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1809.577142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.577142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.577142 (E_RNA) where: Base-Base interactions energy: -1244.285 where: short stacking energy: -565.565 Base-Backbone interact. energy: -0.948 local terms energy: -564.344580 where: bonds (distance) C4'-P energy: -114.137 bonds (distance) P-C4' energy: -95.630 flat angles C4'-P-C4' energy: -117.336 flat angles P-C4'-P energy: -95.617 tors. eta vs tors. theta energy: -141.624 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: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1640.785113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.785113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.785113 (E_RNA) where: Base-Base interactions energy: -1107.561 where: short stacking energy: -502.934 Base-Backbone interact. energy: 1.929 local terms energy: -535.152547 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -122.420 flat angles C4'-P-C4' energy: -122.791 flat angles P-C4'-P energy: -74.485 tors. eta vs tors. theta energy: -107.250 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1390.159613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.159613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.159613 (E_RNA) where: Base-Base interactions energy: -907.598 where: short stacking energy: -403.764 Base-Backbone interact. energy: -2.748 local terms energy: -479.812907 where: bonds (distance) C4'-P energy: -133.207 bonds (distance) P-C4' energy: -112.286 flat angles C4'-P-C4' energy: -110.723 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: -65.329 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: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1070.170537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.170537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.170537 (E_RNA) where: Base-Base interactions energy: -635.002 where: short stacking energy: -322.034 Base-Backbone interact. energy: 0.904 local terms energy: -436.072638 where: bonds (distance) C4'-P energy: -97.664 bonds (distance) P-C4' energy: -115.035 flat angles C4'-P-C4' energy: -111.611 flat angles P-C4'-P energy: -70.825 tors. eta vs tors. theta energy: -40.937 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: 225 Temperature: 0.900000 Total energy: -2505.189140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.189140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.189140 (E_RNA) where: Base-Base interactions energy: -1770.573 where: short stacking energy: -697.951 Base-Backbone interact. energy: -1.599 local terms energy: -733.017821 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -146.199 flat angles C4'-P-C4' energy: -166.659 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: -181.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2444.722824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.722824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.722824 (E_RNA) where: Base-Base interactions energy: -1704.297 where: short stacking energy: -751.052 Base-Backbone interact. energy: -3.737 local terms energy: -736.688322 where: bonds (distance) C4'-P energy: -122.294 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -157.290 flat angles P-C4'-P energy: -103.039 tors. eta vs tors. theta energy: -218.736 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: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2415.660524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.660524 (E_RNA) where: Base-Base interactions energy: -1694.080 where: short stacking energy: -762.725 Base-Backbone interact. energy: -0.711 local terms energy: -720.868826 where: bonds (distance) C4'-P energy: -117.713 bonds (distance) P-C4' energy: -130.352 flat angles C4'-P-C4' energy: -158.326 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -215.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2148.850540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.850540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.850540 (E_RNA) where: Base-Base interactions energy: -1479.663 where: short stacking energy: -635.945 Base-Backbone interact. energy: -3.102 local terms energy: -666.085390 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -135.183 flat angles C4'-P-C4' energy: -138.612 flat angles P-C4'-P energy: -88.717 tors. eta vs tors. theta energy: -176.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2134.204610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.204610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.204610 (E_RNA) where: Base-Base interactions energy: -1494.240 where: short stacking energy: -603.944 Base-Backbone interact. energy: 2.505 local terms energy: -642.469643 where: bonds (distance) C4'-P energy: -133.045 bonds (distance) P-C4' energy: -129.952 flat angles C4'-P-C4' energy: -131.962 flat angles P-C4'-P energy: -85.904 tors. eta vs tors. theta energy: -161.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1980.685422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.685422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.685422 (E_RNA) where: Base-Base interactions energy: -1353.573 where: short stacking energy: -599.846 Base-Backbone interact. energy: -0.990 local terms energy: -626.122433 where: bonds (distance) C4'-P energy: -110.996 bonds (distance) P-C4' energy: -124.670 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -144.616 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: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1798.576248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.576248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.576248 (E_RNA) where: Base-Base interactions energy: -1248.013 where: short stacking energy: -538.451 Base-Backbone interact. energy: -3.261 local terms energy: -547.302350 where: bonds (distance) C4'-P energy: -104.741 bonds (distance) P-C4' energy: -122.963 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -127.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1564.741869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.741869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.741869 (E_RNA) where: Base-Base interactions energy: -1046.682 where: short stacking energy: -461.699 Base-Backbone interact. energy: 0.461 local terms energy: -518.520620 where: bonds (distance) C4'-P energy: -109.542 bonds (distance) P-C4' energy: -123.892 flat angles C4'-P-C4' energy: -121.310 flat angles P-C4'-P energy: -64.732 tors. eta vs tors. theta energy: -99.045 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: 225 Temperature: 1.300000 Total energy: -1463.937954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.937954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.937954 (E_RNA) where: Base-Base interactions energy: -970.841 where: short stacking energy: -425.929 Base-Backbone interact. energy: 8.295 local terms energy: -501.392136 where: bonds (distance) C4'-P energy: -117.712 bonds (distance) P-C4' energy: -103.223 flat angles C4'-P-C4' energy: -121.131 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -86.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -967.236836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.236836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.236836 (E_RNA) where: Base-Base interactions energy: -608.002 where: short stacking energy: -290.535 Base-Backbone interact. energy: 8.274 local terms energy: -367.508873 where: bonds (distance) C4'-P energy: -92.499 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -106.317 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -22.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2504.561530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.561530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.561530 (E_RNA) where: Base-Base interactions energy: -1774.191 where: short stacking energy: -718.446 Base-Backbone interact. energy: 0.910 local terms energy: -731.281171 where: bonds (distance) C4'-P energy: -130.515 bonds (distance) P-C4' energy: -147.023 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -107.285 tors. eta vs tors. theta energy: -190.203 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2450.094675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.094675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.094675 (E_RNA) where: Base-Base interactions energy: -1708.381 where: short stacking energy: -738.632 Base-Backbone interact. energy: -2.463 local terms energy: -739.249763 where: bonds (distance) C4'-P energy: -132.326 bonds (distance) P-C4' energy: -124.295 flat angles C4'-P-C4' energy: -165.459 flat angles P-C4'-P energy: -100.234 tors. eta vs tors. theta energy: -216.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2368.492863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.492863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.492863 (E_RNA) where: Base-Base interactions energy: -1656.114 where: short stacking energy: -717.997 Base-Backbone interact. energy: -3.473 local terms energy: -708.905871 where: bonds (distance) C4'-P energy: -132.261 bonds (distance) P-C4' energy: -125.608 flat angles C4'-P-C4' energy: -158.155 flat angles P-C4'-P energy: -88.428 tors. eta vs tors. theta energy: -204.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2134.352188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.352188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.352188 (E_RNA) where: Base-Base interactions energy: -1468.057 where: short stacking energy: -630.980 Base-Backbone interact. energy: -3.999 local terms energy: -662.296086 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -145.425 flat angles P-C4'-P energy: -97.777 tors. eta vs tors. theta energy: -180.751 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: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2184.988182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.988182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.988182 (E_RNA) where: Base-Base interactions energy: -1525.064 where: short stacking energy: -634.158 Base-Backbone interact. energy: -4.864 local terms energy: -655.059841 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -136.104 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -91.989 tors. eta vs tors. theta energy: -156.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2038.196371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.196371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.196371 (E_RNA) where: Base-Base interactions energy: -1421.837 where: short stacking energy: -635.695 Base-Backbone interact. energy: -3.717 local terms energy: -612.642300 where: bonds (distance) C4'-P energy: -122.235 bonds (distance) P-C4' energy: -117.397 flat angles C4'-P-C4' energy: -124.868 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -162.661 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: 226 Temperature: 1.200000 Total energy: -1768.240280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.240280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.240280 (E_RNA) where: Base-Base interactions energy: -1174.306 where: short stacking energy: -522.883 Base-Backbone interact. energy: 1.369 local terms energy: -595.303015 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -115.370 flat angles C4'-P-C4' energy: -131.235 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -116.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1619.815069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.815069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.815069 (E_RNA) where: Base-Base interactions energy: -1074.698 where: short stacking energy: -446.614 Base-Backbone interact. energy: -0.200 local terms energy: -544.917262 where: bonds (distance) C4'-P energy: -118.792 bonds (distance) P-C4' energy: -122.293 flat angles C4'-P-C4' energy: -130.351 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -93.847 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: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1364.842077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.842077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.842077 (E_RNA) where: Base-Base interactions energy: -915.025 where: short stacking energy: -405.857 Base-Backbone interact. energy: -2.107 local terms energy: -447.709993 where: bonds (distance) C4'-P energy: -102.243 bonds (distance) P-C4' energy: -94.362 flat angles C4'-P-C4' energy: -107.938 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -63.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -952.083320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.083320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.083320 (E_RNA) where: Base-Base interactions energy: -552.554 where: short stacking energy: -277.813 Base-Backbone interact. energy: -2.501 local terms energy: -397.027812 where: bonds (distance) C4'-P energy: -101.982 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -110.455 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -16.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2462.501088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.501088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.501088 (E_RNA) where: Base-Base interactions energy: -1751.988 where: short stacking energy: -729.184 Base-Backbone interact. energy: 3.651 local terms energy: -714.164908 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -152.113 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -95.151 tors. eta vs tors. theta energy: -192.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2471.676656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.676656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.676656 (E_RNA) where: Base-Base interactions energy: -1716.299 where: short stacking energy: -758.884 Base-Backbone interact. energy: -4.177 local terms energy: -751.200291 where: bonds (distance) C4'-P energy: -135.608 bonds (distance) P-C4' energy: -138.058 flat angles C4'-P-C4' energy: -157.479 flat angles P-C4'-P energy: -102.862 tors. eta vs tors. theta energy: -217.192 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2334.044761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.044761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.044761 (E_RNA) where: Base-Base interactions energy: -1614.252 where: short stacking energy: -709.113 Base-Backbone interact. energy: -2.875 local terms energy: -716.918434 where: bonds (distance) C4'-P energy: -120.869 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -147.356 flat angles P-C4'-P energy: -108.058 tors. eta vs tors. theta energy: -200.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2235.276268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.276268 (E_RNA) where: Base-Base interactions energy: -1536.072 where: short stacking energy: -627.223 Base-Backbone interact. energy: -2.026 local terms energy: -697.178274 where: bonds (distance) C4'-P energy: -142.228 bonds (distance) P-C4' energy: -137.782 flat angles C4'-P-C4' energy: -143.419 flat angles P-C4'-P energy: -96.527 tors. eta vs tors. theta energy: -177.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2073.987198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.987198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.987198 (E_RNA) where: Base-Base interactions energy: -1410.927 where: short stacking energy: -625.597 Base-Backbone interact. energy: -3.963 local terms energy: -659.097542 where: bonds (distance) C4'-P energy: -109.046 bonds (distance) P-C4' energy: -126.449 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -102.095 tors. eta vs tors. theta energy: -165.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2047.562605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.562605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.562605 (E_RNA) where: Base-Base interactions energy: -1405.437 where: short stacking energy: -612.390 Base-Backbone interact. energy: -0.552 local terms energy: -641.573793 where: bonds (distance) C4'-P energy: -111.502 bonds (distance) P-C4' energy: -129.830 flat angles C4'-P-C4' energy: -147.018 flat angles P-C4'-P energy: -102.083 tors. eta vs tors. theta energy: -151.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1773.933534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.933534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.933534 (E_RNA) where: Base-Base interactions energy: -1204.311 where: short stacking energy: -552.603 Base-Backbone interact. energy: 2.525 local terms energy: -572.146986 where: bonds (distance) C4'-P energy: -124.819 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -122.090 flat angles P-C4'-P energy: -86.974 tors. eta vs tors. theta energy: -137.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1582.889828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.889828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.889828 (E_RNA) where: Base-Base interactions energy: -1081.709 where: short stacking energy: -481.604 Base-Backbone interact. energy: -0.982 local terms energy: -500.198977 where: bonds (distance) C4'-P energy: -102.472 bonds (distance) P-C4' energy: -112.421 flat angles C4'-P-C4' energy: -115.354 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -100.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1320.767585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.767585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.767585 (E_RNA) where: Base-Base interactions energy: -857.290 where: short stacking energy: -386.771 Base-Backbone interact. energy: -4.227 local terms energy: -459.250338 where: bonds (distance) C4'-P energy: -108.135 bonds (distance) P-C4' energy: -111.733 flat angles C4'-P-C4' energy: -111.104 flat angles P-C4'-P energy: -61.609 tors. eta vs tors. theta energy: -66.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -994.018882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.018882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.018882 (E_RNA) where: Base-Base interactions energy: -579.207 where: short stacking energy: -286.104 Base-Backbone interact. energy: -1.583 local terms energy: -413.228900 where: bonds (distance) C4'-P energy: -113.547 bonds (distance) P-C4' energy: -116.933 flat angles C4'-P-C4' energy: -110.679 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -5.878 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: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2479.438793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.438793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.438793 (E_RNA) where: Base-Base interactions energy: -1710.427 where: short stacking energy: -742.071 Base-Backbone interact. energy: -3.168 local terms energy: -765.844620 where: bonds (distance) C4'-P energy: -134.968 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -151.205 flat angles P-C4'-P energy: -119.728 tors. eta vs tors. theta energy: -220.739 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: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2457.507874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.507874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.507874 (E_RNA) where: Base-Base interactions energy: -1711.236 where: short stacking energy: -696.693 Base-Backbone interact. energy: 0.878 local terms energy: -747.150251 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -131.671 flat angles C4'-P-C4' energy: -167.819 flat angles P-C4'-P energy: -117.056 tors. eta vs tors. theta energy: -198.403 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: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2331.364094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.364094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.364094 (E_RNA) where: Base-Base interactions energy: -1639.714 where: short stacking energy: -709.331 Base-Backbone interact. energy: -1.911 local terms energy: -689.739234 where: bonds (distance) C4'-P energy: -118.252 bonds (distance) P-C4' energy: -136.284 flat angles C4'-P-C4' energy: -146.358 flat angles P-C4'-P energy: -94.728 tors. eta vs tors. theta energy: -194.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2184.446071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.446071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.446071 (E_RNA) where: Base-Base interactions energy: -1531.152 where: short stacking energy: -674.193 Base-Backbone interact. energy: -3.313 local terms energy: -649.980692 where: bonds (distance) C4'-P energy: -114.423 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -146.978 flat angles P-C4'-P energy: -95.365 tors. eta vs tors. theta energy: -171.083 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: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2076.235841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.235841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.235841 (E_RNA) where: Base-Base interactions energy: -1410.296 where: short stacking energy: -608.686 Base-Backbone interact. energy: 2.901 local terms energy: -668.840645 where: bonds (distance) C4'-P energy: -137.749 bonds (distance) P-C4' energy: -134.442 flat angles C4'-P-C4' energy: -135.607 flat angles P-C4'-P energy: -89.770 tors. eta vs tors. theta energy: -171.274 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2012.054892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.054892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.054892 (E_RNA) where: Base-Base interactions energy: -1382.715 where: short stacking energy: -609.760 Base-Backbone interact. energy: -0.552 local terms energy: -628.787060 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -125.807 flat angles P-C4'-P energy: -83.726 tors. eta vs tors. theta energy: -168.927 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: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1775.207132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.207132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.207132 (E_RNA) where: Base-Base interactions energy: -1211.239 where: short stacking energy: -516.969 Base-Backbone interact. energy: -0.333 local terms energy: -563.635189 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -132.442 flat angles P-C4'-P energy: -87.714 tors. eta vs tors. theta energy: -105.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1629.900132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.900132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.900132 (E_RNA) where: Base-Base interactions energy: -1114.755 where: short stacking energy: -474.639 Base-Backbone interact. energy: 3.269 local terms energy: -518.413993 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -114.565 flat angles C4'-P-C4' energy: -136.014 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -92.054 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: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1361.539272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.539272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.539272 (E_RNA) where: Base-Base interactions energy: -896.031 where: short stacking energy: -400.021 Base-Backbone interact. energy: -1.439 local terms energy: -464.153437 where: bonds (distance) C4'-P energy: -90.840 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -122.422 flat angles P-C4'-P energy: -73.065 tors. eta vs tors. theta energy: -63.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.085 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1005.037063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.037063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.037063 (E_RNA) where: Base-Base interactions energy: -593.567 where: short stacking energy: -308.911 Base-Backbone interact. energy: -3.536 local terms energy: -407.933771 where: bonds (distance) C4'-P energy: -93.685 bonds (distance) P-C4' energy: -106.936 flat angles C4'-P-C4' energy: -110.101 flat angles P-C4'-P energy: -61.774 tors. eta vs tors. theta energy: -35.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2477.704385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.704385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.704385 (E_RNA) where: Base-Base interactions energy: -1704.302 where: short stacking energy: -728.121 Base-Backbone interact. energy: -0.677 local terms energy: -772.724968 where: bonds (distance) C4'-P energy: -141.521 bonds (distance) P-C4' energy: -149.743 flat angles C4'-P-C4' energy: -159.730 flat angles P-C4'-P energy: -106.665 tors. eta vs tors. theta energy: -215.066 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: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2447.817450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.817450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.817450 (E_RNA) where: Base-Base interactions energy: -1730.290 where: short stacking energy: -708.618 Base-Backbone interact. energy: 0.391 local terms energy: -717.917951 where: bonds (distance) C4'-P energy: -131.664 bonds (distance) P-C4' energy: -145.681 flat angles C4'-P-C4' energy: -152.551 flat angles P-C4'-P energy: -92.116 tors. eta vs tors. theta energy: -195.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2379.551855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.551855 (E_RNA) where: Base-Base interactions energy: -1670.439 where: short stacking energy: -742.433 Base-Backbone interact. energy: 0.438 local terms energy: -709.550205 where: bonds (distance) C4'-P energy: -117.945 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -151.586 flat angles P-C4'-P energy: -107.330 tors. eta vs tors. theta energy: -211.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2240.646770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.646770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.646770 (E_RNA) where: Base-Base interactions energy: -1563.858 where: short stacking energy: -652.658 Base-Backbone interact. energy: -3.901 local terms energy: -672.887788 where: bonds (distance) C4'-P energy: -130.678 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -144.301 flat angles P-C4'-P energy: -99.412 tors. eta vs tors. theta energy: -174.814 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: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2091.524283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.524283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.524283 (E_RNA) where: Base-Base interactions energy: -1478.344 where: short stacking energy: -642.580 Base-Backbone interact. energy: -2.393 local terms energy: -610.787185 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -133.449 flat angles P-C4'-P energy: -82.280 tors. eta vs tors. theta energy: -174.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1982.300257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.300257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.300257 (E_RNA) where: Base-Base interactions energy: -1367.541 where: short stacking energy: -579.293 Base-Backbone interact. energy: 0.190 local terms energy: -614.949051 where: bonds (distance) C4'-P energy: -105.396 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -90.817 tors. eta vs tors. theta energy: -151.821 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: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1767.355849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.355849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.355849 (E_RNA) where: Base-Base interactions energy: -1182.608 where: short stacking energy: -497.512 Base-Backbone interact. energy: -1.031 local terms energy: -583.716245 where: bonds (distance) C4'-P energy: -139.672 bonds (distance) P-C4' energy: -107.118 flat angles C4'-P-C4' energy: -124.565 flat angles P-C4'-P energy: -87.735 tors. eta vs tors. theta energy: -124.626 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: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1574.360596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.360596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.360596 (E_RNA) where: Base-Base interactions energy: -1061.797 where: short stacking energy: -473.392 Base-Backbone interact. energy: -2.857 local terms energy: -509.706048 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -106.388 flat angles C4'-P-C4' energy: -121.842 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: -99.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1399.194697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.194697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.194697 (E_RNA) where: Base-Base interactions energy: -935.220 where: short stacking energy: -409.291 Base-Backbone interact. energy: 2.009 local terms energy: -465.983703 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: -81.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1047.698900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.698900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.698900 (E_RNA) where: Base-Base interactions energy: -643.926 where: short stacking energy: -303.864 Base-Backbone interact. energy: 6.512 local terms energy: -410.285402 where: bonds (distance) C4'-P energy: -93.350 bonds (distance) P-C4' energy: -112.898 flat angles C4'-P-C4' energy: -114.039 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -45.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2461.558928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.558928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.558928 (E_RNA) where: Base-Base interactions energy: -1722.067 where: short stacking energy: -728.287 Base-Backbone interact. energy: -2.787 local terms energy: -736.704750 where: bonds (distance) C4'-P energy: -125.192 bonds (distance) P-C4' energy: -141.025 flat angles C4'-P-C4' energy: -149.865 flat angles P-C4'-P energy: -106.192 tors. eta vs tors. theta energy: -214.431 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: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2445.806196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.806196 (E_RNA) where: Base-Base interactions energy: -1739.679 where: short stacking energy: -705.700 Base-Backbone interact. energy: -4.888 local terms energy: -701.238435 where: bonds (distance) C4'-P energy: -124.908 bonds (distance) P-C4' energy: -132.596 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -91.889 tors. eta vs tors. theta energy: -192.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2376.664525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.664525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.664525 (E_RNA) where: Base-Base interactions energy: -1653.342 where: short stacking energy: -721.829 Base-Backbone interact. energy: -4.669 local terms energy: -718.653378 where: bonds (distance) C4'-P energy: -135.989 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -143.428 flat angles P-C4'-P energy: -107.398 tors. eta vs tors. theta energy: -208.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2222.988709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.988709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.988709 (E_RNA) where: Base-Base interactions energy: -1557.583 where: short stacking energy: -637.948 Base-Backbone interact. energy: -5.131 local terms energy: -660.274225 where: bonds (distance) C4'-P energy: -123.603 bonds (distance) P-C4' energy: -120.444 flat angles C4'-P-C4' energy: -145.919 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: -171.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2095.729711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.729711 (E_RNA) where: Base-Base interactions energy: -1437.315 where: short stacking energy: -635.773 Base-Backbone interact. energy: 1.126 local terms energy: -659.540698 where: bonds (distance) C4'-P energy: -121.384 bonds (distance) P-C4' energy: -127.072 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -106.188 tors. eta vs tors. theta energy: -166.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2030.224875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.224875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.224875 (E_RNA) where: Base-Base interactions energy: -1425.897 where: short stacking energy: -642.006 Base-Backbone interact. energy: 2.146 local terms energy: -606.473729 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -105.225 flat angles C4'-P-C4' energy: -141.482 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -165.781 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: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1782.641470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.641470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.641470 (E_RNA) where: Base-Base interactions energy: -1239.138 where: short stacking energy: -538.538 Base-Backbone interact. energy: -1.317 local terms energy: -542.186654 where: bonds (distance) C4'-P energy: -113.893 bonds (distance) P-C4' energy: -105.644 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -85.626 tors. eta vs tors. theta energy: -120.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1593.009809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.009809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.009809 (E_RNA) where: Base-Base interactions energy: -1092.653 where: short stacking energy: -459.876 Base-Backbone interact. energy: -1.023 local terms energy: -499.333921 where: bonds (distance) C4'-P energy: -104.759 bonds (distance) P-C4' energy: -125.565 flat angles C4'-P-C4' energy: -103.906 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -86.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1417.212779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.212779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.212779 (E_RNA) where: Base-Base interactions energy: -949.020 where: short stacking energy: -426.548 Base-Backbone interact. energy: 0.202 local terms energy: -468.394497 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -112.964 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -83.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -996.410088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.410088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.410088 (E_RNA) where: Base-Base interactions energy: -597.115 where: short stacking energy: -293.860 Base-Backbone interact. energy: -1.033 local terms energy: -398.261574 where: bonds (distance) C4'-P energy: -111.392 bonds (distance) P-C4' energy: -111.586 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -61.938 tors. eta vs tors. theta energy: -24.083 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: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2488.319659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.319659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.319659 (E_RNA) where: Base-Base interactions energy: -1723.658 where: short stacking energy: -737.031 Base-Backbone interact. energy: -4.150 local terms energy: -760.511639 where: bonds (distance) C4'-P energy: -126.066 bonds (distance) P-C4' energy: -153.871 flat angles C4'-P-C4' energy: -160.626 flat angles P-C4'-P energy: -115.638 tors. eta vs tors. theta energy: -204.311 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: 231 Temperature: 0.950000 Total energy: -2434.345257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.345257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.345257 (E_RNA) where: Base-Base interactions energy: -1740.884 where: short stacking energy: -699.183 Base-Backbone interact. energy: -1.644 local terms energy: -691.817645 where: bonds (distance) C4'-P energy: -122.204 bonds (distance) P-C4' energy: -137.348 flat angles C4'-P-C4' energy: -141.806 flat angles P-C4'-P energy: -101.035 tors. eta vs tors. theta energy: -189.425 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2371.438039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.438039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.438039 (E_RNA) where: Base-Base interactions energy: -1670.146 where: short stacking energy: -722.636 Base-Backbone interact. energy: -1.807 local terms energy: -699.485396 where: bonds (distance) C4'-P energy: -139.803 bonds (distance) P-C4' energy: -119.699 flat angles C4'-P-C4' energy: -152.015 flat angles P-C4'-P energy: -86.888 tors. eta vs tors. theta energy: -201.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2242.434993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.434993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.434993 (E_RNA) where: Base-Base interactions energy: -1575.318 where: short stacking energy: -659.792 Base-Backbone interact. energy: -2.869 local terms energy: -664.248315 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -124.735 flat angles C4'-P-C4' energy: -147.254 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -177.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2067.661214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.661214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.661214 (E_RNA) where: Base-Base interactions energy: -1456.567 where: short stacking energy: -641.822 Base-Backbone interact. energy: -1.299 local terms energy: -609.795150 where: bonds (distance) C4'-P energy: -113.923 bonds (distance) P-C4' energy: -122.443 flat angles C4'-P-C4' energy: -140.050 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: -156.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1986.936784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.936784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.936784 (E_RNA) where: Base-Base interactions energy: -1364.926 where: short stacking energy: -609.544 Base-Backbone interact. energy: 0.026 local terms energy: -622.036774 where: bonds (distance) C4'-P energy: -111.165 bonds (distance) P-C4' energy: -111.240 flat angles C4'-P-C4' energy: -146.758 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -160.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1793.551370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.551370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.551370 (E_RNA) where: Base-Base interactions energy: -1246.398 where: short stacking energy: -557.736 Base-Backbone interact. energy: -2.030 local terms energy: -545.122856 where: bonds (distance) C4'-P energy: -101.308 bonds (distance) P-C4' energy: -109.731 flat angles C4'-P-C4' energy: -112.307 flat angles P-C4'-P energy: -76.329 tors. eta vs tors. theta energy: -145.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1680.597163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.597163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.597163 (E_RNA) where: Base-Base interactions energy: -1171.388 where: short stacking energy: -495.682 Base-Backbone interact. energy: 2.100 local terms energy: -511.309480 where: bonds (distance) C4'-P energy: -123.081 bonds (distance) P-C4' energy: -104.202 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: -113.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1364.589258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.589258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.589258 (E_RNA) where: Base-Base interactions energy: -909.928 where: short stacking energy: -384.301 Base-Backbone interact. energy: -1.206 local terms energy: -453.782390 where: bonds (distance) C4'-P energy: -103.728 bonds (distance) P-C4' energy: -107.105 flat angles C4'-P-C4' energy: -95.321 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: -68.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -971.569844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.569844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.569844 (E_RNA) where: Base-Base interactions energy: -558.284 where: short stacking energy: -274.303 Base-Backbone interact. energy: -1.754 local terms energy: -411.531840 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -101.638 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -69.144 tors. eta vs tors. theta energy: -35.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2480.830873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.830873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.830873 (E_RNA) where: Base-Base interactions energy: -1732.231 where: short stacking energy: -741.208 Base-Backbone interact. energy: -3.283 local terms energy: -745.316010 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -133.096 flat angles C4'-P-C4' energy: -152.651 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -216.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2409.885897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.885897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.885897 (E_RNA) where: Base-Base interactions energy: -1692.320 where: short stacking energy: -688.204 Base-Backbone interact. energy: -3.703 local terms energy: -713.863111 where: bonds (distance) C4'-P energy: -120.349 bonds (distance) P-C4' energy: -132.450 flat angles C4'-P-C4' energy: -157.173 flat angles P-C4'-P energy: -114.876 tors. eta vs tors. theta energy: -189.015 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2325.474005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.474005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.474005 (E_RNA) where: Base-Base interactions energy: -1611.821 where: short stacking energy: -692.118 Base-Backbone interact. energy: -2.004 local terms energy: -711.649055 where: bonds (distance) C4'-P energy: -128.067 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -150.068 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -203.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2218.290953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.290953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.290953 (E_RNA) where: Base-Base interactions energy: -1583.754 where: short stacking energy: -675.100 Base-Backbone interact. energy: -1.205 local terms energy: -633.331387 where: bonds (distance) C4'-P energy: -114.512 bonds (distance) P-C4' energy: -109.123 flat angles C4'-P-C4' energy: -139.463 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -181.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2115.754826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.754826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.754826 (E_RNA) where: Base-Base interactions energy: -1470.490 where: short stacking energy: -621.076 Base-Backbone interact. energy: 1.829 local terms energy: -647.094225 where: bonds (distance) C4'-P energy: -114.265 bonds (distance) P-C4' energy: -135.180 flat angles C4'-P-C4' energy: -147.321 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -158.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1941.988416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.988416 (E_RNA) where: Base-Base interactions energy: -1318.285 where: short stacking energy: -578.974 Base-Backbone interact. energy: -0.848 local terms energy: -622.856022 where: bonds (distance) C4'-P energy: -122.682 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -132.396 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -157.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1786.043311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.043311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.043311 (E_RNA) where: Base-Base interactions energy: -1198.266 where: short stacking energy: -534.505 Base-Backbone interact. energy: 1.152 local terms energy: -588.929234 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -118.942 flat angles C4'-P-C4' energy: -136.650 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -143.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1674.382058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.382058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.382058 (E_RNA) where: Base-Base interactions energy: -1130.667 where: short stacking energy: -485.494 Base-Backbone interact. energy: 5.256 local terms energy: -548.971261 where: bonds (distance) C4'-P energy: -122.118 bonds (distance) P-C4' energy: -112.753 flat angles C4'-P-C4' energy: -113.207 flat angles P-C4'-P energy: -89.181 tors. eta vs tors. theta energy: -111.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1314.628159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.628159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.628159 (E_RNA) where: Base-Base interactions energy: -859.403 where: short stacking energy: -390.558 Base-Backbone interact. energy: -1.851 local terms energy: -453.374439 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -113.253 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -66.288 tors. eta vs tors. theta energy: -64.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1031.523360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.523360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.523360 (E_RNA) where: Base-Base interactions energy: -624.989 where: short stacking energy: -289.453 Base-Backbone interact. energy: 4.602 local terms energy: -411.136544 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -112.030 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2475.262577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.262577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.262577 (E_RNA) where: Base-Base interactions energy: -1735.007 where: short stacking energy: -720.900 Base-Backbone interact. energy: -3.201 local terms energy: -737.054960 where: bonds (distance) C4'-P energy: -137.504 bonds (distance) P-C4' energy: -125.478 flat angles C4'-P-C4' energy: -162.932 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -209.353 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: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2417.338427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.338427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.338427 (E_RNA) where: Base-Base interactions energy: -1694.864 where: short stacking energy: -727.560 Base-Backbone interact. energy: 3.678 local terms energy: -726.151806 where: bonds (distance) C4'-P energy: -120.946 bonds (distance) P-C4' energy: -131.770 flat angles C4'-P-C4' energy: -159.475 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -203.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2366.576330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.576330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.576330 (E_RNA) where: Base-Base interactions energy: -1668.464 where: short stacking energy: -701.710 Base-Backbone interact. energy: -1.517 local terms energy: -696.595042 where: bonds (distance) C4'-P energy: -134.733 bonds (distance) P-C4' energy: -129.530 flat angles C4'-P-C4' energy: -150.617 flat angles P-C4'-P energy: -93.481 tors. eta vs tors. theta energy: -188.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2257.897450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.897450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.897450 (E_RNA) where: Base-Base interactions energy: -1586.513 where: short stacking energy: -660.743 Base-Backbone interact. energy: -5.193 local terms energy: -666.191716 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -122.707 flat angles C4'-P-C4' energy: -143.339 flat angles P-C4'-P energy: -91.469 tors. eta vs tors. theta energy: -176.450 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: 233 Temperature: 1.100000 Total energy: -2093.821812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.821812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.821812 (E_RNA) where: Base-Base interactions energy: -1460.777 where: short stacking energy: -633.266 Base-Backbone interact. energy: 1.713 local terms energy: -634.757104 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -107.795 flat angles C4'-P-C4' energy: -144.816 flat angles P-C4'-P energy: -92.066 tors. eta vs tors. theta energy: -167.780 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: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1959.640172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.640172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.640172 (E_RNA) where: Base-Base interactions energy: -1355.392 where: short stacking energy: -604.730 Base-Backbone interact. energy: 8.483 local terms energy: -612.730931 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -135.718 flat angles C4'-P-C4' energy: -128.270 flat angles P-C4'-P energy: -74.099 tors. eta vs tors. theta energy: -155.812 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: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1743.250954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.250954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.250954 (E_RNA) where: Base-Base interactions energy: -1188.887 where: short stacking energy: -520.122 Base-Backbone interact. energy: -2.157 local terms energy: -552.206906 where: bonds (distance) C4'-P energy: -96.964 bonds (distance) P-C4' energy: -114.844 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -130.269 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: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1700.846912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.846912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.846912 (E_RNA) where: Base-Base interactions energy: -1167.925 where: short stacking energy: -511.153 Base-Backbone interact. energy: 2.026 local terms energy: -534.948625 where: bonds (distance) C4'-P energy: -108.633 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -100.401 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: 233 Temperature: 1.300000 Total energy: -1326.099961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.099961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.099961 (E_RNA) where: Base-Base interactions energy: -893.813 where: short stacking energy: -388.224 Base-Backbone interact. energy: 0.927 local terms energy: -433.214218 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -104.385 flat angles C4'-P-C4' energy: -99.977 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -61.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1022.114959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.114959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.114959 (E_RNA) where: Base-Base interactions energy: -644.639 where: short stacking energy: -319.308 Base-Backbone interact. energy: 2.326 local terms energy: -379.801898 where: bonds (distance) C4'-P energy: -107.328 bonds (distance) P-C4' energy: -101.225 flat angles C4'-P-C4' energy: -85.941 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -41.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2489.494004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.494004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.494004 (E_RNA) where: Base-Base interactions energy: -1738.420 where: short stacking energy: -709.011 Base-Backbone interact. energy: -5.357 local terms energy: -745.717202 where: bonds (distance) C4'-P energy: -129.199 bonds (distance) P-C4' energy: -135.913 flat angles C4'-P-C4' energy: -160.657 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -216.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2433.951590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.951590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.951590 (E_RNA) where: Base-Base interactions energy: -1703.231 where: short stacking energy: -752.745 Base-Backbone interact. energy: -4.380 local terms energy: -726.340759 where: bonds (distance) C4'-P energy: -135.858 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -150.690 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -213.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2363.255204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.255204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.255204 (E_RNA) where: Base-Base interactions energy: -1698.410 where: short stacking energy: -714.075 Base-Backbone interact. energy: 5.335 local terms energy: -670.180526 where: bonds (distance) C4'-P energy: -122.559 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -151.559 flat angles P-C4'-P energy: -101.086 tors. eta vs tors. theta energy: -186.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2251.694852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.694852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.694852 (E_RNA) where: Base-Base interactions energy: -1574.717 where: short stacking energy: -654.517 Base-Backbone interact. energy: -3.883 local terms energy: -673.094425 where: bonds (distance) C4'-P energy: -127.160 bonds (distance) P-C4' energy: -123.688 flat angles C4'-P-C4' energy: -148.871 flat angles P-C4'-P energy: -99.718 tors. eta vs tors. theta energy: -173.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2035.679944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.679944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.679944 (E_RNA) where: Base-Base interactions energy: -1386.709 where: short stacking energy: -596.003 Base-Backbone interact. energy: -1.927 local terms energy: -647.043769 where: bonds (distance) C4'-P energy: -133.087 bonds (distance) P-C4' energy: -129.045 flat angles C4'-P-C4' energy: -144.595 flat angles P-C4'-P energy: -93.281 tors. eta vs tors. theta energy: -147.035 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: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1962.151143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.151143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.151143 (E_RNA) where: Base-Base interactions energy: -1379.951 where: short stacking energy: -586.358 Base-Backbone interact. energy: -1.910 local terms energy: -580.290214 where: bonds (distance) C4'-P energy: -108.635 bonds (distance) P-C4' energy: -103.664 flat angles C4'-P-C4' energy: -142.784 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -151.219 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: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1781.168254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.168254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.168254 (E_RNA) where: Base-Base interactions energy: -1206.515 where: short stacking energy: -519.139 Base-Backbone interact. energy: -0.200 local terms energy: -574.453199 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -129.832 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -127.319 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: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1704.103143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.103143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.103143 (E_RNA) where: Base-Base interactions energy: -1187.095 where: short stacking energy: -485.798 Base-Backbone interact. energy: -4.344 local terms energy: -512.664475 where: bonds (distance) C4'-P energy: -123.948 bonds (distance) P-C4' energy: -122.140 flat angles C4'-P-C4' energy: -109.809 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -97.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1338.322023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.322023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.322023 (E_RNA) where: Base-Base interactions energy: -877.911 where: short stacking energy: -389.784 Base-Backbone interact. energy: -2.416 local terms energy: -457.994652 where: bonds (distance) C4'-P energy: -102.421 bonds (distance) P-C4' energy: -113.352 flat angles C4'-P-C4' energy: -116.931 flat angles P-C4'-P energy: -72.501 tors. eta vs tors. theta energy: -52.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1014.959284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.959284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.959284 (E_RNA) where: Base-Base interactions energy: -596.192 where: short stacking energy: -279.986 Base-Backbone interact. energy: -0.759 local terms energy: -418.008076 where: bonds (distance) C4'-P energy: -113.393 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -71.105 tors. eta vs tors. theta energy: -21.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2509.878427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.878427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.878427 (E_RNA) where: Base-Base interactions energy: -1766.337 where: short stacking energy: -742.846 Base-Backbone interact. energy: -5.104 local terms energy: -738.436829 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -140.282 flat angles C4'-P-C4' energy: -154.390 flat angles P-C4'-P energy: -105.648 tors. eta vs tors. theta energy: -212.511 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: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2427.720953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.720953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.720953 (E_RNA) where: Base-Base interactions energy: -1684.530 where: short stacking energy: -760.484 Base-Backbone interact. energy: -1.810 local terms energy: -741.380942 where: bonds (distance) C4'-P energy: -130.858 bonds (distance) P-C4' energy: -135.974 flat angles C4'-P-C4' energy: -160.344 flat angles P-C4'-P energy: -103.752 tors. eta vs tors. theta energy: -210.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2368.916228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.916228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.916228 (E_RNA) where: Base-Base interactions energy: -1685.237 where: short stacking energy: -697.409 Base-Backbone interact. energy: 0.921 local terms energy: -684.600676 where: bonds (distance) C4'-P energy: -134.795 bonds (distance) P-C4' energy: -129.267 flat angles C4'-P-C4' energy: -143.766 flat angles P-C4'-P energy: -100.072 tors. eta vs tors. theta energy: -176.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2273.582494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.582494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.582494 (E_RNA) where: Base-Base interactions energy: -1577.721 where: short stacking energy: -675.986 Base-Backbone interact. energy: -2.570 local terms energy: -693.291219 where: bonds (distance) C4'-P energy: -128.476 bonds (distance) P-C4' energy: -131.444 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -104.726 tors. eta vs tors. theta energy: -185.338 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: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2026.683972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.683972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.683972 (E_RNA) where: Base-Base interactions energy: -1388.683 where: short stacking energy: -596.733 Base-Backbone interact. energy: -2.226 local terms energy: -635.774971 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -133.343 flat angles C4'-P-C4' energy: -135.729 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -165.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1911.784474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.784474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.784474 (E_RNA) where: Base-Base interactions energy: -1304.535 where: short stacking energy: -585.219 Base-Backbone interact. energy: -2.295 local terms energy: -604.954321 where: bonds (distance) C4'-P energy: -98.642 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -135.437 flat angles P-C4'-P energy: -101.742 tors. eta vs tors. theta energy: -137.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1755.487259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.487259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.487259 (E_RNA) where: Base-Base interactions energy: -1184.554 where: short stacking energy: -507.934 Base-Backbone interact. energy: 1.838 local terms energy: -572.770529 where: bonds (distance) C4'-P energy: -96.211 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -134.783 flat angles P-C4'-P energy: -82.506 tors. eta vs tors. theta energy: -137.234 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: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1741.678316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.678316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.678316 (E_RNA) where: Base-Base interactions energy: -1161.619 where: short stacking energy: -504.561 Base-Backbone interact. energy: -3.863 local terms energy: -576.196288 where: bonds (distance) C4'-P energy: -118.808 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -138.169 flat angles P-C4'-P energy: -69.197 tors. eta vs tors. theta energy: -112.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1388.502438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.502438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.502438 (E_RNA) where: Base-Base interactions energy: -930.764 where: short stacking energy: -440.394 Base-Backbone interact. energy: 2.081 local terms energy: -459.819267 where: bonds (distance) C4'-P energy: -107.602 bonds (distance) P-C4' energy: -103.950 flat angles C4'-P-C4' energy: -102.109 flat angles P-C4'-P energy: -47.050 tors. eta vs tors. theta energy: -99.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1018.154858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.154858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.154858 (E_RNA) where: Base-Base interactions energy: -595.194 where: short stacking energy: -304.240 Base-Backbone interact. energy: 5.170 local terms energy: -428.131179 where: bonds (distance) C4'-P energy: -119.035 bonds (distance) P-C4' energy: -101.532 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -62.253 tors. eta vs tors. theta energy: -37.466 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: 236 Temperature: 0.900000 Total energy: -2518.344922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.344922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.344922 (E_RNA) where: Base-Base interactions energy: -1742.982 where: short stacking energy: -735.868 Base-Backbone interact. energy: -4.635 local terms energy: -770.728172 where: bonds (distance) C4'-P energy: -143.312 bonds (distance) P-C4' energy: -135.588 flat angles C4'-P-C4' energy: -163.083 flat angles P-C4'-P energy: -110.876 tors. eta vs tors. theta energy: -217.869 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: 236 Temperature: 0.950000 Total energy: -2418.550786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.550786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.550786 (E_RNA) where: Base-Base interactions energy: -1687.198 where: short stacking energy: -737.582 Base-Backbone interact. energy: -1.252 local terms energy: -730.100814 where: bonds (distance) C4'-P energy: -137.916 bonds (distance) P-C4' energy: -140.619 flat angles C4'-P-C4' energy: -141.467 flat angles P-C4'-P energy: -100.001 tors. eta vs tors. theta energy: -210.098 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: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2358.131503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.131503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.131503 (E_RNA) where: Base-Base interactions energy: -1681.023 where: short stacking energy: -686.982 Base-Backbone interact. energy: 3.235 local terms energy: -680.342832 where: bonds (distance) C4'-P energy: -120.379 bonds (distance) P-C4' energy: -111.829 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -108.753 tors. eta vs tors. theta energy: -186.038 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2222.116153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.116153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.116153 (E_RNA) where: Base-Base interactions energy: -1571.230 where: short stacking energy: -676.082 Base-Backbone interact. energy: -1.830 local terms energy: -649.055371 where: bonds (distance) C4'-P energy: -126.685 bonds (distance) P-C4' energy: -127.683 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -84.123 tors. eta vs tors. theta energy: -168.302 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: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2043.308301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.308301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.308301 (E_RNA) where: Base-Base interactions energy: -1391.458 where: short stacking energy: -627.365 Base-Backbone interact. energy: -0.863 local terms energy: -650.986769 where: bonds (distance) C4'-P energy: -120.710 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -138.650 flat angles P-C4'-P energy: -93.356 tors. eta vs tors. theta energy: -166.061 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: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1943.513993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.513993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.513993 (E_RNA) where: Base-Base interactions energy: -1337.117 where: short stacking energy: -560.252 Base-Backbone interact. energy: -1.948 local terms energy: -604.449230 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -138.629 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -133.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1743.845633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.845633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.845633 (E_RNA) where: Base-Base interactions energy: -1180.318 where: short stacking energy: -507.481 Base-Backbone interact. energy: 0.311 local terms energy: -563.838973 where: bonds (distance) C4'-P energy: -128.654 bonds (distance) P-C4' energy: -111.828 flat angles C4'-P-C4' energy: -110.140 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: -132.178 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: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1671.501691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.501691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.501691 (E_RNA) where: Base-Base interactions energy: -1148.386 where: short stacking energy: -486.572 Base-Backbone interact. energy: -1.673 local terms energy: -521.443376 where: bonds (distance) C4'-P energy: -98.633 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -128.464 flat angles P-C4'-P energy: -83.937 tors. eta vs tors. theta energy: -109.114 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: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1316.834436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.834436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.834436 (E_RNA) where: Base-Base interactions energy: -850.493 where: short stacking energy: -381.752 Base-Backbone interact. energy: 6.583 local terms energy: -472.924786 where: bonds (distance) C4'-P energy: -119.960 bonds (distance) P-C4' energy: -100.648 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: -55.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1005.531098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.531098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.531098 (E_RNA) where: Base-Base interactions energy: -592.006 where: short stacking energy: -292.539 Base-Backbone interact. energy: 1.811 local terms energy: -415.335676 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -124.235 flat angles P-C4'-P energy: -36.427 tors. eta vs tors. theta energy: -30.931 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: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2487.391219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.391219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.391219 (E_RNA) where: Base-Base interactions energy: -1748.075 where: short stacking energy: -756.357 Base-Backbone interact. energy: -4.609 local terms energy: -734.706959 where: bonds (distance) C4'-P energy: -125.272 bonds (distance) P-C4' energy: -136.282 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -104.542 tors. eta vs tors. theta energy: -210.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2447.888883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.888883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.888883 (E_RNA) where: Base-Base interactions energy: -1702.823 where: short stacking energy: -757.129 Base-Backbone interact. energy: -2.403 local terms energy: -742.662366 where: bonds (distance) C4'-P energy: -143.934 bonds (distance) P-C4' energy: -144.299 flat angles C4'-P-C4' energy: -149.765 flat angles P-C4'-P energy: -94.847 tors. eta vs tors. theta energy: -209.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2376.258326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.258326 (E_RNA) where: Base-Base interactions energy: -1673.084 where: short stacking energy: -710.855 Base-Backbone interact. energy: 5.189 local terms energy: -708.364013 where: bonds (distance) C4'-P energy: -123.736 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -160.323 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -193.767 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2216.909795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.909795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.909795 (E_RNA) where: Base-Base interactions energy: -1561.546 where: short stacking energy: -689.217 Base-Backbone interact. energy: -0.397 local terms energy: -654.966839 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -107.219 flat angles C4'-P-C4' energy: -143.476 flat angles P-C4'-P energy: -100.662 tors. eta vs tors. theta energy: -179.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1984.455569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.455569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.455569 (E_RNA) where: Base-Base interactions energy: -1367.853 where: short stacking energy: -601.626 Base-Backbone interact. energy: -1.597 local terms energy: -615.005922 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -116.601 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -90.163 tors. eta vs tors. theta energy: -152.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1912.694557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.694557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.694557 (E_RNA) where: Base-Base interactions energy: -1310.615 where: short stacking energy: -568.350 Base-Backbone interact. energy: -0.126 local terms energy: -601.953394 where: bonds (distance) C4'-P energy: -115.647 bonds (distance) P-C4' energy: -113.438 flat angles C4'-P-C4' energy: -146.341 flat angles P-C4'-P energy: -82.895 tors. eta vs tors. theta energy: -143.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1767.218327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.218327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.218327 (E_RNA) where: Base-Base interactions energy: -1228.951 where: short stacking energy: -504.396 Base-Backbone interact. energy: -1.608 local terms energy: -536.659437 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -118.285 flat angles C4'-P-C4' energy: -128.219 flat angles P-C4'-P energy: -72.232 tors. eta vs tors. theta energy: -112.645 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1698.677300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.677300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.677300 (E_RNA) where: Base-Base interactions energy: -1175.647 where: short stacking energy: -505.048 Base-Backbone interact. energy: -0.143 local terms energy: -522.887291 where: bonds (distance) C4'-P energy: -94.457 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -119.853 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -115.697 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: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1313.814208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.814208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.814208 (E_RNA) where: Base-Base interactions energy: -867.449 where: short stacking energy: -411.880 Base-Backbone interact. energy: 3.669 local terms energy: -450.035027 where: bonds (distance) C4'-P energy: -81.386 bonds (distance) P-C4' energy: -97.607 flat angles C4'-P-C4' energy: -109.853 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -80.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -977.821033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.821033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.821033 (E_RNA) where: Base-Base interactions energy: -590.753 where: short stacking energy: -284.744 Base-Backbone interact. energy: 3.146 local terms energy: -390.213880 where: bonds (distance) C4'-P energy: -109.264 bonds (distance) P-C4' energy: -88.506 flat angles C4'-P-C4' energy: -89.306 flat angles P-C4'-P energy: -72.257 tors. eta vs tors. theta energy: -30.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2501.500897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.500897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.500897 (E_RNA) where: Base-Base interactions energy: -1756.116 where: short stacking energy: -763.508 Base-Backbone interact. energy: -1.087 local terms energy: -744.297993 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -126.241 flat angles C4'-P-C4' energy: -164.378 flat angles P-C4'-P energy: -96.822 tors. eta vs tors. theta energy: -220.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2392.060549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.060549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.060549 (E_RNA) where: Base-Base interactions energy: -1669.795 where: short stacking energy: -759.686 Base-Backbone interact. energy: -2.136 local terms energy: -720.129410 where: bonds (distance) C4'-P energy: -119.000 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -153.143 flat angles P-C4'-P energy: -97.160 tors. eta vs tors. theta energy: -216.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2385.448326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.448326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.448326 (E_RNA) where: Base-Base interactions energy: -1693.457 where: short stacking energy: -699.650 Base-Backbone interact. energy: -0.355 local terms energy: -691.636750 where: bonds (distance) C4'-P energy: -121.785 bonds (distance) P-C4' energy: -118.125 flat angles C4'-P-C4' energy: -160.540 flat angles P-C4'-P energy: -98.769 tors. eta vs tors. theta energy: -192.418 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: 238 Temperature: 1.050000 Total energy: -2224.294658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.294658 (E_RNA) where: Base-Base interactions energy: -1558.153 where: short stacking energy: -641.098 Base-Backbone interact. energy: 0.469 local terms energy: -666.609841 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -131.654 flat angles C4'-P-C4' energy: -147.745 flat angles P-C4'-P energy: -110.633 tors. eta vs tors. theta energy: -168.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1991.321160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.321160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.321160 (E_RNA) where: Base-Base interactions energy: -1381.646 where: short stacking energy: -596.611 Base-Backbone interact. energy: -0.066 local terms energy: -609.608591 where: bonds (distance) C4'-P energy: -117.892 bonds (distance) P-C4' energy: -131.848 flat angles C4'-P-C4' energy: -135.871 flat angles P-C4'-P energy: -77.899 tors. eta vs tors. theta energy: -146.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2007.456171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.456171 (E_RNA) where: Base-Base interactions energy: -1349.991 where: short stacking energy: -598.660 Base-Backbone interact. energy: -2.884 local terms energy: -654.581691 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -132.505 flat angles C4'-P-C4' energy: -139.647 flat angles P-C4'-P energy: -103.946 tors. eta vs tors. theta energy: -160.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1827.371819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.371819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.371819 (E_RNA) where: Base-Base interactions energy: -1254.807 where: short stacking energy: -538.272 Base-Backbone interact. energy: -0.049 local terms energy: -572.515659 where: bonds (distance) C4'-P energy: -115.894 bonds (distance) P-C4' energy: -114.210 flat angles C4'-P-C4' energy: -128.865 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -139.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1655.762728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.762728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.762728 (E_RNA) where: Base-Base interactions energy: -1127.097 where: short stacking energy: -477.064 Base-Backbone interact. energy: -4.722 local terms energy: -523.943761 where: bonds (distance) C4'-P energy: -104.634 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -125.618 flat angles P-C4'-P energy: -79.898 tors. eta vs tors. theta energy: -98.041 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: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1300.665511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.665511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.665511 (E_RNA) where: Base-Base interactions energy: -848.429 where: short stacking energy: -355.673 Base-Backbone interact. energy: 4.415 local terms energy: -456.651462 where: bonds (distance) C4'-P energy: -111.826 bonds (distance) P-C4' energy: -123.021 flat angles C4'-P-C4' energy: -91.311 flat angles P-C4'-P energy: -85.483 tors. eta vs tors. theta energy: -45.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -951.434644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.434644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.434644 (E_RNA) where: Base-Base interactions energy: -534.036 where: short stacking energy: -249.362 Base-Backbone interact. energy: -1.211 local terms energy: -416.186915 where: bonds (distance) C4'-P energy: -106.075 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -14.936 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: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2483.243333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.243333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.243333 (E_RNA) where: Base-Base interactions energy: -1756.292 where: short stacking energy: -743.031 Base-Backbone interact. energy: -3.078 local terms energy: -723.873681 where: bonds (distance) C4'-P energy: -129.512 bonds (distance) P-C4' energy: -128.244 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -205.172 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: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2400.023573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.023573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.023573 (E_RNA) where: Base-Base interactions energy: -1683.331 where: short stacking energy: -757.112 Base-Backbone interact. energy: -0.940 local terms energy: -715.752396 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -199.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2375.635054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.635054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.635054 (E_RNA) where: Base-Base interactions energy: -1689.183 where: short stacking energy: -716.733 Base-Backbone interact. energy: -6.092 local terms energy: -680.359410 where: bonds (distance) C4'-P energy: -133.802 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -150.789 flat angles P-C4'-P energy: -86.981 tors. eta vs tors. theta energy: -193.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2203.099569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.099569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.099569 (E_RNA) where: Base-Base interactions energy: -1531.594 where: short stacking energy: -638.462 Base-Backbone interact. energy: -2.229 local terms energy: -669.276125 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -115.270 flat angles C4'-P-C4' energy: -150.474 flat angles P-C4'-P energy: -103.730 tors. eta vs tors. theta energy: -169.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1999.283510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.283510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.283510 (E_RNA) where: Base-Base interactions energy: -1377.990 where: short stacking energy: -582.611 Base-Backbone interact. energy: 0.265 local terms energy: -621.558039 where: bonds (distance) C4'-P energy: -115.202 bonds (distance) P-C4' energy: -120.991 flat angles C4'-P-C4' energy: -139.257 flat angles P-C4'-P energy: -87.386 tors. eta vs tors. theta energy: -158.723 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: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1999.140159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.140159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.140159 (E_RNA) where: Base-Base interactions energy: -1372.459 where: short stacking energy: -607.202 Base-Backbone interact. energy: 0.122 local terms energy: -626.803647 where: bonds (distance) C4'-P energy: -118.748 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -162.571 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: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1790.592047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.592047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.592047 (E_RNA) where: Base-Base interactions energy: -1218.448 where: short stacking energy: -546.354 Base-Backbone interact. energy: -2.188 local terms energy: -569.955792 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -119.617 flat angles C4'-P-C4' energy: -126.272 flat angles P-C4'-P energy: -85.299 tors. eta vs tors. theta energy: -138.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1641.334666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.334666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.334666 (E_RNA) where: Base-Base interactions energy: -1138.369 where: short stacking energy: -487.864 Base-Backbone interact. energy: -1.800 local terms energy: -501.165276 where: bonds (distance) C4'-P energy: -117.228 bonds (distance) P-C4' energy: -95.436 flat angles C4'-P-C4' energy: -110.539 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: -103.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1274.547871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.547871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.547871 (E_RNA) where: Base-Base interactions energy: -832.006 where: short stacking energy: -363.400 Base-Backbone interact. energy: 9.535 local terms energy: -452.076286 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -47.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -889.094979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.094979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.094979 (E_RNA) where: Base-Base interactions energy: -482.654 where: short stacking energy: -268.199 Base-Backbone interact. energy: 0.342 local terms energy: -406.783017 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -112.060 flat angles C4'-P-C4' energy: -94.102 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -32.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2464.365847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.365847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.365847 (E_RNA) where: Base-Base interactions energy: -1724.127 where: short stacking energy: -722.005 Base-Backbone interact. energy: -1.562 local terms energy: -738.677334 where: bonds (distance) C4'-P energy: -129.630 bonds (distance) P-C4' energy: -139.635 flat angles C4'-P-C4' energy: -157.321 flat angles P-C4'-P energy: -112.055 tors. eta vs tors. theta energy: -200.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2447.359482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.359482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.359482 (E_RNA) where: Base-Base interactions energy: -1715.699 where: short stacking energy: -742.679 Base-Backbone interact. energy: -0.542 local terms energy: -731.118912 where: bonds (distance) C4'-P energy: -123.365 bonds (distance) P-C4' energy: -140.550 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -107.770 tors. eta vs tors. theta energy: -210.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2372.636191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.636191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.636191 (E_RNA) where: Base-Base interactions energy: -1656.270 where: short stacking energy: -693.654 Base-Backbone interact. energy: -0.579 local terms energy: -715.786847 where: bonds (distance) C4'-P energy: -126.474 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -153.803 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -198.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2237.649046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.649046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.649046 (E_RNA) where: Base-Base interactions energy: -1551.370 where: short stacking energy: -675.296 Base-Backbone interact. energy: -1.489 local terms energy: -684.789519 where: bonds (distance) C4'-P energy: -115.497 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -197.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2066.600647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.600647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.600647 (E_RNA) where: Base-Base interactions energy: -1441.960 where: short stacking energy: -636.428 Base-Backbone interact. energy: -0.885 local terms energy: -623.754913 where: bonds (distance) C4'-P energy: -101.707 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -128.686 flat angles P-C4'-P energy: -105.969 tors. eta vs tors. theta energy: -173.022 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1935.777965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.777965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.777965 (E_RNA) where: Base-Base interactions energy: -1342.094 where: short stacking energy: -590.561 Base-Backbone interact. energy: -2.944 local terms energy: -590.740026 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -124.579 flat angles C4'-P-C4' energy: -123.519 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -137.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1767.578184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.578184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.578184 (E_RNA) where: Base-Base interactions energy: -1207.170 where: short stacking energy: -528.070 Base-Backbone interact. energy: -1.325 local terms energy: -559.082739 where: bonds (distance) C4'-P energy: -115.102 bonds (distance) P-C4' energy: -113.584 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -75.981 tors. eta vs tors. theta energy: -127.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1646.364379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.364379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.364379 (E_RNA) where: Base-Base interactions energy: -1153.702 where: short stacking energy: -485.985 Base-Backbone interact. energy: 2.936 local terms energy: -495.598388 where: bonds (distance) C4'-P energy: -105.188 bonds (distance) P-C4' energy: -101.042 flat angles C4'-P-C4' energy: -114.267 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -99.590 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1299.309997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.309997 (E_RNA) where: Base-Base interactions energy: -836.793 where: short stacking energy: -368.933 Base-Backbone interact. energy: 0.702 local terms energy: -463.219087 where: bonds (distance) C4'-P energy: -81.438 bonds (distance) P-C4' energy: -138.130 flat angles C4'-P-C4' energy: -114.834 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -63.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -898.967565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.967565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.967565 (E_RNA) where: Base-Base interactions energy: -502.336 where: short stacking energy: -255.777 Base-Backbone interact. energy: 1.070 local terms energy: -397.701129 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -109.883 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -63.320 tors. eta vs tors. theta energy: -24.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2452.943858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.943858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.943858 (E_RNA) where: Base-Base interactions energy: -1724.691 where: short stacking energy: -721.903 Base-Backbone interact. energy: -4.674 local terms energy: -723.578627 where: bonds (distance) C4'-P energy: -142.655 bonds (distance) P-C4' energy: -136.046 flat angles C4'-P-C4' energy: -151.070 flat angles P-C4'-P energy: -104.349 tors. eta vs tors. theta energy: -189.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2425.354185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.354185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.354185 (E_RNA) where: Base-Base interactions energy: -1703.075 where: short stacking energy: -769.533 Base-Backbone interact. energy: 2.162 local terms energy: -724.440779 where: bonds (distance) C4'-P energy: -120.868 bonds (distance) P-C4' energy: -134.857 flat angles C4'-P-C4' energy: -149.268 flat angles P-C4'-P energy: -110.956 tors. eta vs tors. theta energy: -208.493 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: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2379.825956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.825956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.825956 (E_RNA) where: Base-Base interactions energy: -1661.718 where: short stacking energy: -705.788 Base-Backbone interact. energy: -6.161 local terms energy: -711.946773 where: bonds (distance) C4'-P energy: -131.854 bonds (distance) P-C4' energy: -134.785 flat angles C4'-P-C4' energy: -169.580 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -179.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2195.025774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.025774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.025774 (E_RNA) where: Base-Base interactions energy: -1538.250 where: short stacking energy: -654.765 Base-Backbone interact. energy: -2.829 local terms energy: -653.947249 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -132.540 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -185.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2036.040309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.040309 (E_RNA) where: Base-Base interactions energy: -1389.545 where: short stacking energy: -592.221 Base-Backbone interact. energy: 1.952 local terms energy: -648.446638 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -123.161 flat angles C4'-P-C4' energy: -139.126 flat angles P-C4'-P energy: -96.920 tors. eta vs tors. theta energy: -161.809 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: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1957.818472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.818472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.818472 (E_RNA) where: Base-Base interactions energy: -1342.423 where: short stacking energy: -557.097 Base-Backbone interact. energy: -0.824 local terms energy: -614.571068 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -145.433 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -138.201 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: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1721.146284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.146284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.146284 (E_RNA) where: Base-Base interactions energy: -1179.909 where: short stacking energy: -516.366 Base-Backbone interact. energy: 0.312 local terms energy: -541.549248 where: bonds (distance) C4'-P energy: -105.201 bonds (distance) P-C4' energy: -109.605 flat angles C4'-P-C4' energy: -129.403 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -118.379 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1692.676522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.676522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.676522 (E_RNA) where: Base-Base interactions energy: -1181.033 where: short stacking energy: -527.551 Base-Backbone interact. energy: 0.336 local terms energy: -511.979146 where: bonds (distance) C4'-P energy: -104.844 bonds (distance) P-C4' energy: -96.018 flat angles C4'-P-C4' energy: -113.500 flat angles P-C4'-P energy: -72.293 tors. eta vs tors. theta energy: -125.324 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: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1260.244263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.244263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.244263 (E_RNA) where: Base-Base interactions energy: -865.609 where: short stacking energy: -367.068 Base-Backbone interact. energy: 4.499 local terms energy: -399.134510 where: bonds (distance) C4'-P energy: -108.343 bonds (distance) P-C4' energy: -92.812 flat angles C4'-P-C4' energy: -106.745 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -37.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -936.329020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.329020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.329020 (E_RNA) where: Base-Base interactions energy: -514.772 where: short stacking energy: -282.523 Base-Backbone interact. energy: 0.471 local terms energy: -422.028902 where: bonds (distance) C4'-P energy: -107.119 bonds (distance) P-C4' energy: -105.243 flat angles C4'-P-C4' energy: -110.520 flat angles P-C4'-P energy: -64.206 tors. eta vs tors. theta energy: -34.941 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: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2502.745909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.745909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.745909 (E_RNA) where: Base-Base interactions energy: -1768.192 where: short stacking energy: -752.348 Base-Backbone interact. energy: -5.179 local terms energy: -729.374587 where: bonds (distance) C4'-P energy: -125.829 bonds (distance) P-C4' energy: -136.867 flat angles C4'-P-C4' energy: -158.890 flat angles P-C4'-P energy: -96.274 tors. eta vs tors. theta energy: -211.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2416.683702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.683702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.683702 (E_RNA) where: Base-Base interactions energy: -1680.882 where: short stacking energy: -737.328 Base-Backbone interact. energy: -0.396 local terms energy: -735.405747 where: bonds (distance) C4'-P energy: -118.768 bonds (distance) P-C4' energy: -136.942 flat angles C4'-P-C4' energy: -163.924 flat angles P-C4'-P energy: -103.618 tors. eta vs tors. theta energy: -212.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2378.611206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.611206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.611206 (E_RNA) where: Base-Base interactions energy: -1712.570 where: short stacking energy: -714.978 Base-Backbone interact. energy: -0.981 local terms energy: -665.059963 where: bonds (distance) C4'-P energy: -113.102 bonds (distance) P-C4' energy: -116.127 flat angles C4'-P-C4' energy: -147.789 flat angles P-C4'-P energy: -104.502 tors. eta vs tors. theta energy: -183.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2199.786722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.786722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.786722 (E_RNA) where: Base-Base interactions energy: -1537.003 where: short stacking energy: -673.082 Base-Backbone interact. energy: -2.289 local terms energy: -660.494025 where: bonds (distance) C4'-P energy: -127.791 bonds (distance) P-C4' energy: -119.484 flat angles C4'-P-C4' energy: -146.225 flat angles P-C4'-P energy: -88.010 tors. eta vs tors. theta energy: -178.984 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: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2040.832798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.832798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.832798 (E_RNA) where: Base-Base interactions energy: -1427.873 where: short stacking energy: -614.264 Base-Backbone interact. energy: -0.429 local terms energy: -612.530790 where: bonds (distance) C4'-P energy: -104.012 bonds (distance) P-C4' energy: -128.878 flat angles C4'-P-C4' energy: -140.026 flat angles P-C4'-P energy: -88.093 tors. eta vs tors. theta energy: -151.522 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: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1981.651283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.651283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.651283 (E_RNA) where: Base-Base interactions energy: -1355.186 where: short stacking energy: -592.079 Base-Backbone interact. energy: 0.058 local terms energy: -626.523569 where: bonds (distance) C4'-P energy: -135.369 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -131.728 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -160.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1723.022595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.022595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.022595 (E_RNA) where: Base-Base interactions energy: -1149.171 where: short stacking energy: -500.528 Base-Backbone interact. energy: -1.883 local terms energy: -571.968920 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -125.254 flat angles P-C4'-P energy: -74.922 tors. eta vs tors. theta energy: -115.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1664.440047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.440047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.440047 (E_RNA) where: Base-Base interactions energy: -1145.193 where: short stacking energy: -505.207 Base-Backbone interact. energy: -1.796 local terms energy: -517.450613 where: bonds (distance) C4'-P energy: -96.004 bonds (distance) P-C4' energy: -112.561 flat angles C4'-P-C4' energy: -125.997 flat angles P-C4'-P energy: -66.945 tors. eta vs tors. theta energy: -115.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1360.133719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.133719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.133719 (E_RNA) where: Base-Base interactions energy: -904.393 where: short stacking energy: -391.885 Base-Backbone interact. energy: 3.997 local terms energy: -459.737682 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -100.666 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -56.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -903.913989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.913989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.913989 (E_RNA) where: Base-Base interactions energy: -523.084 where: short stacking energy: -289.772 Base-Backbone interact. energy: -2.768 local terms energy: -378.061620 where: bonds (distance) C4'-P energy: -91.945 bonds (distance) P-C4' energy: -117.765 flat angles C4'-P-C4' energy: -96.194 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -23.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2505.418415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.418415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.418415 (E_RNA) where: Base-Base interactions energy: -1745.684 where: short stacking energy: -727.822 Base-Backbone interact. energy: -2.515 local terms energy: -757.219321 where: bonds (distance) C4'-P energy: -141.066 bonds (distance) P-C4' energy: -136.604 flat angles C4'-P-C4' energy: -166.014 flat angles P-C4'-P energy: -100.489 tors. eta vs tors. theta energy: -213.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2459.205195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.205195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.205195 (E_RNA) where: Base-Base interactions energy: -1698.370 where: short stacking energy: -749.774 Base-Backbone interact. energy: 1.277 local terms energy: -762.112257 where: bonds (distance) C4'-P energy: -135.441 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -159.568 flat angles P-C4'-P energy: -103.208 tors. eta vs tors. theta energy: -212.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2362.556396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.556396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.556396 (E_RNA) where: Base-Base interactions energy: -1659.785 where: short stacking energy: -690.842 Base-Backbone interact. energy: 4.921 local terms energy: -707.692519 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -132.365 flat angles C4'-P-C4' energy: -162.280 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -186.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2203.904438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.904438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.904438 (E_RNA) where: Base-Base interactions energy: -1558.614 where: short stacking energy: -659.114 Base-Backbone interact. energy: -0.515 local terms energy: -644.776038 where: bonds (distance) C4'-P energy: -117.551 bonds (distance) P-C4' energy: -120.157 flat angles C4'-P-C4' energy: -153.858 flat angles P-C4'-P energy: -78.515 tors. eta vs tors. theta energy: -174.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2059.562778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.562778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.562778 (E_RNA) where: Base-Base interactions energy: -1423.904 where: short stacking energy: -612.169 Base-Backbone interact. energy: -3.153 local terms energy: -632.505279 where: bonds (distance) C4'-P energy: -121.665 bonds (distance) P-C4' energy: -137.623 flat angles C4'-P-C4' energy: -126.553 flat angles P-C4'-P energy: -87.188 tors. eta vs tors. theta energy: -159.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1963.634596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.634596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.634596 (E_RNA) where: Base-Base interactions energy: -1363.829 where: short stacking energy: -578.056 Base-Backbone interact. energy: -0.768 local terms energy: -599.037392 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -99.210 flat angles C4'-P-C4' energy: -149.551 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -142.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1776.428201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.428201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.428201 (E_RNA) where: Base-Base interactions energy: -1212.701 where: short stacking energy: -558.948 Base-Backbone interact. energy: 0.048 local terms energy: -563.774793 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -123.116 flat angles C4'-P-C4' energy: -117.941 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -126.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1662.769861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.769861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.769861 (E_RNA) where: Base-Base interactions energy: -1146.849 where: short stacking energy: -512.026 Base-Backbone interact. energy: 11.204 local terms energy: -527.124795 where: bonds (distance) C4'-P energy: -110.600 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -130.657 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -102.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1396.216197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.216197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.216197 (E_RNA) where: Base-Base interactions energy: -909.682 where: short stacking energy: -393.658 Base-Backbone interact. energy: -2.082 local terms energy: -484.452647 where: bonds (distance) C4'-P energy: -122.723 bonds (distance) P-C4' energy: -123.234 flat angles C4'-P-C4' energy: -116.054 flat angles P-C4'-P energy: -63.341 tors. eta vs tors. theta energy: -59.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -924.094452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.094452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.094452 (E_RNA) where: Base-Base interactions energy: -504.840 where: short stacking energy: -269.695 Base-Backbone interact. energy: -0.447 local terms energy: -418.806776 where: bonds (distance) C4'-P energy: -117.470 bonds (distance) P-C4' energy: -114.627 flat angles C4'-P-C4' energy: -109.206 flat angles P-C4'-P energy: -68.837 tors. eta vs tors. theta energy: -8.667 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: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2487.449626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.449626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.449626 (E_RNA) where: Base-Base interactions energy: -1733.462 where: short stacking energy: -727.632 Base-Backbone interact. energy: 0.345 local terms energy: -754.332193 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -162.488 flat angles P-C4'-P energy: -102.411 tors. eta vs tors. theta energy: -212.299 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: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2450.567056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.567056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.567056 (E_RNA) where: Base-Base interactions energy: -1728.857 where: short stacking energy: -767.248 Base-Backbone interact. energy: -2.544 local terms energy: -719.166445 where: bonds (distance) C4'-P energy: -121.531 bonds (distance) P-C4' energy: -125.601 flat angles C4'-P-C4' energy: -154.553 flat angles P-C4'-P energy: -109.915 tors. eta vs tors. theta energy: -207.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2361.007158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.007158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.007158 (E_RNA) where: Base-Base interactions energy: -1656.223 where: short stacking energy: -703.900 Base-Backbone interact. energy: -3.321 local terms energy: -701.463201 where: bonds (distance) C4'-P energy: -134.401 bonds (distance) P-C4' energy: -140.698 flat angles C4'-P-C4' energy: -151.505 flat angles P-C4'-P energy: -87.749 tors. eta vs tors. theta energy: -187.110 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: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2191.791042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.791042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.791042 (E_RNA) where: Base-Base interactions energy: -1501.445 where: short stacking energy: -627.821 Base-Backbone interact. energy: -2.216 local terms energy: -688.130257 where: bonds (distance) C4'-P energy: -134.080 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -92.492 tors. eta vs tors. theta energy: -176.031 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: 5, replica: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2077.609097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.609097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.609097 (E_RNA) where: Base-Base interactions energy: -1423.492 where: short stacking energy: -630.388 Base-Backbone interact. energy: -2.372 local terms energy: -651.745730 where: bonds (distance) C4'-P energy: -114.827 bonds (distance) P-C4' energy: -128.549 flat angles C4'-P-C4' energy: -138.463 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -169.349 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: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1955.244512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.244512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.244512 (E_RNA) where: Base-Base interactions energy: -1334.193 where: short stacking energy: -566.852 Base-Backbone interact. energy: -0.905 local terms energy: -620.146882 where: bonds (distance) C4'-P energy: -131.625 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -140.022 flat angles P-C4'-P energy: -76.641 tors. eta vs tors. theta energy: -148.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1737.014894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.014894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.014894 (E_RNA) where: Base-Base interactions energy: -1196.988 where: short stacking energy: -519.641 Base-Backbone interact. energy: 2.426 local terms energy: -542.452323 where: bonds (distance) C4'-P energy: -109.523 bonds (distance) P-C4' energy: -113.223 flat angles C4'-P-C4' energy: -123.318 flat angles P-C4'-P energy: -74.843 tors. eta vs tors. theta energy: -121.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1632.000154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.000154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.000154 (E_RNA) where: Base-Base interactions energy: -1139.683 where: short stacking energy: -470.923 Base-Backbone interact. energy: 1.234 local terms energy: -493.551274 where: bonds (distance) C4'-P energy: -89.245 bonds (distance) P-C4' energy: -108.822 flat angles C4'-P-C4' energy: -133.173 flat angles P-C4'-P energy: -72.709 tors. eta vs tors. theta energy: -89.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1377.898223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.898223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.898223 (E_RNA) where: Base-Base interactions energy: -904.126 where: short stacking energy: -397.817 Base-Backbone interact. energy: 1.782 local terms energy: -475.554594 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -120.475 flat angles C4'-P-C4' energy: -113.884 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: -63.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -932.666017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.666017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.666017 (E_RNA) where: Base-Base interactions energy: -527.084 where: short stacking energy: -257.962 Base-Backbone interact. energy: 2.358 local terms energy: -407.939654 where: bonds (distance) C4'-P energy: -106.888 bonds (distance) P-C4' energy: -111.068 flat angles C4'-P-C4' energy: -104.539 flat angles P-C4'-P energy: -64.579 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: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2490.734402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.734402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.734402 (E_RNA) where: Base-Base interactions energy: -1750.781 where: short stacking energy: -729.267 Base-Backbone interact. energy: -2.705 local terms energy: -737.248168 where: bonds (distance) C4'-P energy: -131.744 bonds (distance) P-C4' energy: -140.091 flat angles C4'-P-C4' energy: -153.152 flat angles P-C4'-P energy: -113.268 tors. eta vs tors. theta energy: -198.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2455.166194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.166194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.166194 (E_RNA) where: Base-Base interactions energy: -1743.480 where: short stacking energy: -753.272 Base-Backbone interact. energy: 1.114 local terms energy: -712.800313 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -123.749 flat angles C4'-P-C4' energy: -155.451 flat angles P-C4'-P energy: -96.910 tors. eta vs tors. theta energy: -203.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2369.663553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.663553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.663553 (E_RNA) where: Base-Base interactions energy: -1658.472 where: short stacking energy: -705.591 Base-Backbone interact. energy: -0.915 local terms energy: -710.276266 where: bonds (distance) C4'-P energy: -124.563 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -162.716 flat angles P-C4'-P energy: -99.372 tors. eta vs tors. theta energy: -194.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2216.942620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.942620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.942620 (E_RNA) where: Base-Base interactions energy: -1535.604 where: short stacking energy: -658.650 Base-Backbone interact. energy: -2.136 local terms energy: -679.202395 where: bonds (distance) C4'-P energy: -137.175 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -152.139 flat angles P-C4'-P energy: -91.794 tors. eta vs tors. theta energy: -177.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2078.901880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.901880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.901880 (E_RNA) where: Base-Base interactions energy: -1443.419 where: short stacking energy: -615.334 Base-Backbone interact. energy: -2.440 local terms energy: -633.042772 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -80.109 tors. eta vs tors. theta energy: -161.170 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: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2053.700892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.700892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.700892 (E_RNA) where: Base-Base interactions energy: -1386.678 where: short stacking energy: -591.360 Base-Backbone interact. energy: -0.072 local terms energy: -666.951299 where: bonds (distance) C4'-P energy: -138.141 bonds (distance) P-C4' energy: -138.727 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -162.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1804.525929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.525929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.525929 (E_RNA) where: Base-Base interactions energy: -1214.676 where: short stacking energy: -533.091 Base-Backbone interact. energy: 0.388 local terms energy: -590.237456 where: bonds (distance) C4'-P energy: -117.806 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -128.434 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -123.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1611.668982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.668982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.668982 (E_RNA) where: Base-Base interactions energy: -1107.373 where: short stacking energy: -473.417 Base-Backbone interact. energy: -3.252 local terms energy: -501.044432 where: bonds (distance) C4'-P energy: -94.376 bonds (distance) P-C4' energy: -130.281 flat angles C4'-P-C4' energy: -120.317 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -91.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1294.115889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.115889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.115889 (E_RNA) where: Base-Base interactions energy: -847.419 where: short stacking energy: -380.739 Base-Backbone interact. energy: 0.273 local terms energy: -446.970836 where: bonds (distance) C4'-P energy: -105.806 bonds (distance) P-C4' energy: -115.934 flat angles C4'-P-C4' energy: -109.867 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -55.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -896.590958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.590958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.590958 (E_RNA) where: Base-Base interactions energy: -496.529 where: short stacking energy: -283.925 Base-Backbone interact. energy: 2.219 local terms energy: -402.281297 where: bonds (distance) C4'-P energy: -88.385 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -96.533 flat angles P-C4'-P energy: -71.217 tors. eta vs tors. theta energy: -29.813 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: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2482.129431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.129431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.129431 (E_RNA) where: Base-Base interactions energy: -1757.262 where: short stacking energy: -733.899 Base-Backbone interact. energy: -2.121 local terms energy: -722.746262 where: bonds (distance) C4'-P energy: -134.262 bonds (distance) P-C4' energy: -138.291 flat angles C4'-P-C4' energy: -148.019 flat angles P-C4'-P energy: -97.323 tors. eta vs tors. theta energy: -204.851 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: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2455.358651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.358651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.358651 (E_RNA) where: Base-Base interactions energy: -1711.408 where: short stacking energy: -767.534 Base-Backbone interact. energy: -2.251 local terms energy: -741.699281 where: bonds (distance) C4'-P energy: -144.772 bonds (distance) P-C4' energy: -140.744 flat angles C4'-P-C4' energy: -151.505 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -208.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2382.033220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.033220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.033220 (E_RNA) where: Base-Base interactions energy: -1703.446 where: short stacking energy: -722.401 Base-Backbone interact. energy: -6.621 local terms energy: -671.966268 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -105.444 flat angles C4'-P-C4' energy: -157.615 flat angles P-C4'-P energy: -97.449 tors. eta vs tors. theta energy: -191.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2178.232640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.232640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.232640 (E_RNA) where: Base-Base interactions energy: -1485.357 where: short stacking energy: -644.577 Base-Backbone interact. energy: 1.353 local terms energy: -694.228620 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -134.314 flat angles C4'-P-C4' energy: -143.548 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -173.739 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: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2094.989025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.989025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.989025 (E_RNA) where: Base-Base interactions energy: -1428.137 where: short stacking energy: -602.389 Base-Backbone interact. energy: 2.453 local terms energy: -669.304364 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -147.330 flat angles P-C4'-P energy: -93.978 tors. eta vs tors. theta energy: -158.455 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: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1966.838553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.838553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.838553 (E_RNA) where: Base-Base interactions energy: -1349.201 where: short stacking energy: -576.223 Base-Backbone interact. energy: -1.054 local terms energy: -616.583716 where: bonds (distance) C4'-P energy: -131.824 bonds (distance) P-C4' energy: -130.057 flat angles C4'-P-C4' energy: -133.004 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -149.670 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: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1741.337493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.337493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.337493 (E_RNA) where: Base-Base interactions energy: -1196.665 where: short stacking energy: -502.019 Base-Backbone interact. energy: -3.617 local terms energy: -541.054791 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -64.904 tors. eta vs tors. theta energy: -122.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1693.312184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.312184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.312184 (E_RNA) where: Base-Base interactions energy: -1170.485 where: short stacking energy: -519.772 Base-Backbone interact. energy: 0.122 local terms energy: -522.949303 where: bonds (distance) C4'-P energy: -113.489 bonds (distance) P-C4' energy: -105.360 flat angles C4'-P-C4' energy: -110.510 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -117.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1282.746570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.746570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.746570 (E_RNA) where: Base-Base interactions energy: -814.356 where: short stacking energy: -357.320 Base-Backbone interact. energy: -1.828 local terms energy: -466.562402 where: bonds (distance) C4'-P energy: -91.971 bonds (distance) P-C4' energy: -114.329 flat angles C4'-P-C4' energy: -119.781 flat angles P-C4'-P energy: -78.374 tors. eta vs tors. theta energy: -62.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -849.684693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.684693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.684693 (E_RNA) where: Base-Base interactions energy: -509.665 where: short stacking energy: -255.871 Base-Backbone interact. energy: 9.260 local terms energy: -349.279438 where: bonds (distance) C4'-P energy: -98.942 bonds (distance) P-C4' energy: -114.139 flat angles C4'-P-C4' energy: -99.036 flat angles P-C4'-P energy: -38.942 tors. eta vs tors. theta energy: 1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2503.636082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.636082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.636082 (E_RNA) where: Base-Base interactions energy: -1762.034 where: short stacking energy: -716.376 Base-Backbone interact. energy: -2.730 local terms energy: -738.871608 where: bonds (distance) C4'-P energy: -133.362 bonds (distance) P-C4' energy: -138.996 flat angles C4'-P-C4' energy: -165.654 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -208.270 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: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2394.418509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.418509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.418509 (E_RNA) where: Base-Base interactions energy: -1676.403 where: short stacking energy: -743.299 Base-Backbone interact. energy: -3.342 local terms energy: -714.673088 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -136.213 flat angles C4'-P-C4' energy: -150.524 flat angles P-C4'-P energy: -97.897 tors. eta vs tors. theta energy: -206.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2345.370311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.370311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.370311 (E_RNA) where: Base-Base interactions energy: -1645.248 where: short stacking energy: -683.084 Base-Backbone interact. energy: -3.441 local terms energy: -696.681257 where: bonds (distance) C4'-P energy: -124.451 bonds (distance) P-C4' energy: -139.219 flat angles C4'-P-C4' energy: -148.770 flat angles P-C4'-P energy: -109.236 tors. eta vs tors. theta energy: -175.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2170.058044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.058044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.058044 (E_RNA) where: Base-Base interactions energy: -1525.259 where: short stacking energy: -647.690 Base-Backbone interact. energy: -2.265 local terms energy: -642.533333 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -132.539 flat angles C4'-P-C4' energy: -137.388 flat angles P-C4'-P energy: -84.239 tors. eta vs tors. theta energy: -179.361 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: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2060.004624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.004624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.004624 (E_RNA) where: Base-Base interactions energy: -1421.644 where: short stacking energy: -622.735 Base-Backbone interact. energy: -2.677 local terms energy: -635.683423 where: bonds (distance) C4'-P energy: -106.551 bonds (distance) P-C4' energy: -124.431 flat angles C4'-P-C4' energy: -143.967 flat angles P-C4'-P energy: -94.530 tors. eta vs tors. theta energy: -166.205 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: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1997.103384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.103384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.103384 (E_RNA) where: Base-Base interactions energy: -1406.289 where: short stacking energy: -579.907 Base-Backbone interact. energy: -2.415 local terms energy: -588.399852 where: bonds (distance) C4'-P energy: -113.969 bonds (distance) P-C4' energy: -123.264 flat angles C4'-P-C4' energy: -131.138 flat angles P-C4'-P energy: -80.276 tors. eta vs tors. theta energy: -139.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1763.012368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.012368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.012368 (E_RNA) where: Base-Base interactions energy: -1210.158 where: short stacking energy: -514.936 Base-Backbone interact. energy: 0.850 local terms energy: -553.703841 where: bonds (distance) C4'-P energy: -128.001 bonds (distance) P-C4' energy: -110.764 flat angles C4'-P-C4' energy: -126.663 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -111.972 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: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1666.740660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.740660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.740660 (E_RNA) where: Base-Base interactions energy: -1121.832 where: short stacking energy: -474.835 Base-Backbone interact. energy: 0.433 local terms energy: -545.341796 where: bonds (distance) C4'-P energy: -106.834 bonds (distance) P-C4' energy: -126.519 flat angles C4'-P-C4' energy: -128.102 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -107.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1289.623593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.623593 (E_RNA) where: Base-Base interactions energy: -837.416 where: short stacking energy: -392.395 Base-Backbone interact. energy: -1.207 local terms energy: -451.000031 where: bonds (distance) C4'-P energy: -96.846 bonds (distance) P-C4' energy: -122.187 flat angles C4'-P-C4' energy: -105.610 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -57.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -814.039543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.039543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.039543 (E_RNA) where: Base-Base interactions energy: -465.401 where: short stacking energy: -206.970 Base-Backbone interact. energy: 5.057 local terms energy: -353.695683 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -52.011 tors. eta vs tors. theta energy: 16.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2484.349038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.349038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.349038 (E_RNA) where: Base-Base interactions energy: -1753.094 where: short stacking energy: -735.576 Base-Backbone interact. energy: -4.221 local terms energy: -727.033085 where: bonds (distance) C4'-P energy: -131.432 bonds (distance) P-C4' energy: -131.188 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -102.444 tors. eta vs tors. theta energy: -203.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2426.638306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.638306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.638306 (E_RNA) where: Base-Base interactions energy: -1706.760 where: short stacking energy: -763.445 Base-Backbone interact. energy: -2.043 local terms energy: -717.835109 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -133.759 flat angles C4'-P-C4' energy: -158.282 flat angles P-C4'-P energy: -97.451 tors. eta vs tors. theta energy: -208.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2365.123455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.123455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.123455 (E_RNA) where: Base-Base interactions energy: -1654.620 where: short stacking energy: -678.246 Base-Backbone interact. energy: 0.652 local terms energy: -711.155985 where: bonds (distance) C4'-P energy: -129.237 bonds (distance) P-C4' energy: -147.434 flat angles C4'-P-C4' energy: -156.578 flat angles P-C4'-P energy: -94.377 tors. eta vs tors. theta energy: -183.530 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: 248 Temperature: 1.050000 Total energy: -2198.342816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.342816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.342816 (E_RNA) where: Base-Base interactions energy: -1530.702 where: short stacking energy: -657.131 Base-Backbone interact. energy: -3.004 local terms energy: -664.636933 where: bonds (distance) C4'-P energy: -98.600 bonds (distance) P-C4' energy: -138.805 flat angles C4'-P-C4' energy: -150.046 flat angles P-C4'-P energy: -95.279 tors. eta vs tors. theta energy: -181.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2130.219785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.219785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.219785 (E_RNA) where: Base-Base interactions energy: -1472.547 where: short stacking energy: -630.054 Base-Backbone interact. energy: -3.091 local terms energy: -654.582026 where: bonds (distance) C4'-P energy: -117.546 bonds (distance) P-C4' energy: -121.739 flat angles C4'-P-C4' energy: -147.664 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -165.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1981.726706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.726706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.726706 (E_RNA) where: Base-Base interactions energy: -1368.126 where: short stacking energy: -565.458 Base-Backbone interact. energy: -0.600 local terms energy: -613.000599 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -125.886 flat angles P-C4'-P energy: -103.535 tors. eta vs tors. theta energy: -145.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1809.825867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.825867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.825867 (E_RNA) where: Base-Base interactions energy: -1238.084 where: short stacking energy: -562.135 Base-Backbone interact. energy: -2.365 local terms energy: -569.376805 where: bonds (distance) C4'-P energy: -99.261 bonds (distance) P-C4' energy: -109.725 flat angles C4'-P-C4' energy: -132.151 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -144.053 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: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1742.426251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.426251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.426251 (E_RNA) where: Base-Base interactions energy: -1218.785 where: short stacking energy: -535.027 Base-Backbone interact. energy: -4.199 local terms energy: -519.442062 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -136.674 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -121.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1223.026069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.026069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.026069 (E_RNA) where: Base-Base interactions energy: -761.952 where: short stacking energy: -319.515 Base-Backbone interact. energy: -3.222 local terms energy: -457.851869 where: bonds (distance) C4'-P energy: -121.887 bonds (distance) P-C4' energy: -111.684 flat angles C4'-P-C4' energy: -112.272 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -41.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -770.046213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.046213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.046213 (E_RNA) where: Base-Base interactions energy: -376.422 where: short stacking energy: -219.651 Base-Backbone interact. energy: -1.638 local terms energy: -391.986278 where: bonds (distance) C4'-P energy: -88.579 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -105.783 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2502.592562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.592562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.592562 (E_RNA) where: Base-Base interactions energy: -1744.791 where: short stacking energy: -730.205 Base-Backbone interact. energy: -4.519 local terms energy: -753.282659 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -145.596 flat angles C4'-P-C4' energy: -156.856 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -216.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2443.764024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.764024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.764024 (E_RNA) where: Base-Base interactions energy: -1691.367 where: short stacking energy: -765.690 Base-Backbone interact. energy: -3.341 local terms energy: -749.056117 where: bonds (distance) C4'-P energy: -134.570 bonds (distance) P-C4' energy: -133.840 flat angles C4'-P-C4' energy: -160.704 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -217.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2355.089143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.089143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.089143 (E_RNA) where: Base-Base interactions energy: -1648.857 where: short stacking energy: -685.153 Base-Backbone interact. energy: -6.126 local terms energy: -700.105643 where: bonds (distance) C4'-P energy: -130.328 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -140.019 flat angles P-C4'-P energy: -109.219 tors. eta vs tors. theta energy: -180.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2246.784443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.784443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.784443 (E_RNA) where: Base-Base interactions energy: -1564.447 where: short stacking energy: -693.362 Base-Backbone interact. energy: -0.390 local terms energy: -681.947457 where: bonds (distance) C4'-P energy: -117.867 bonds (distance) P-C4' energy: -134.218 flat angles C4'-P-C4' energy: -146.287 flat angles P-C4'-P energy: -97.136 tors. eta vs tors. theta energy: -186.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2083.723589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.723589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.723589 (E_RNA) where: Base-Base interactions energy: -1441.540 where: short stacking energy: -623.378 Base-Backbone interact. energy: -2.696 local terms energy: -639.487611 where: bonds (distance) C4'-P energy: -128.071 bonds (distance) P-C4' energy: -137.137 flat angles C4'-P-C4' energy: -137.344 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -156.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1962.388061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.388061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.388061 (E_RNA) where: Base-Base interactions energy: -1343.016 where: short stacking energy: -588.371 Base-Backbone interact. energy: -1.934 local terms energy: -617.438335 where: bonds (distance) C4'-P energy: -135.843 bonds (distance) P-C4' energy: -127.028 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -152.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1783.369897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.369897 (E_RNA) where: Base-Base interactions energy: -1184.867 where: short stacking energy: -529.182 Base-Backbone interact. energy: 0.376 local terms energy: -598.878951 where: bonds (distance) C4'-P energy: -108.788 bonds (distance) P-C4' energy: -133.327 flat angles C4'-P-C4' energy: -146.263 flat angles P-C4'-P energy: -85.176 tors. eta vs tors. theta energy: -125.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1786.274074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.274074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.274074 (E_RNA) where: Base-Base interactions energy: -1229.633 where: short stacking energy: -530.573 Base-Backbone interact. energy: -2.295 local terms energy: -554.345594 where: bonds (distance) C4'-P energy: -122.738 bonds (distance) P-C4' energy: -95.157 flat angles C4'-P-C4' energy: -128.950 flat angles P-C4'-P energy: -82.826 tors. eta vs tors. theta energy: -124.674 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: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1193.628560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.628560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.628560 (E_RNA) where: Base-Base interactions energy: -748.812 where: short stacking energy: -302.479 Base-Backbone interact. energy: -2.320 local terms energy: -442.496864 where: bonds (distance) C4'-P energy: -115.104 bonds (distance) P-C4' energy: -122.290 flat angles C4'-P-C4' energy: -99.875 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -19.906 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: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -833.932850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.932850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.932850 (E_RNA) where: Base-Base interactions energy: -442.725 where: short stacking energy: -239.337 Base-Backbone interact. energy: -1.190 local terms energy: -390.017708 where: bonds (distance) C4'-P energy: -109.166 bonds (distance) P-C4' energy: -94.891 flat angles C4'-P-C4' energy: -116.259 flat angles P-C4'-P energy: -65.312 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: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2512.997101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.997101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.997101 (E_RNA) where: Base-Base interactions energy: -1757.400 where: short stacking energy: -744.382 Base-Backbone interact. energy: -1.579 local terms energy: -754.018015 where: bonds (distance) C4'-P energy: -128.886 bonds (distance) P-C4' energy: -140.504 flat angles C4'-P-C4' energy: -165.275 flat angles P-C4'-P energy: -104.162 tors. eta vs tors. theta energy: -215.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2441.538696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.538696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.538696 (E_RNA) where: Base-Base interactions energy: -1686.146 where: short stacking energy: -734.247 Base-Backbone interact. energy: -2.650 local terms energy: -752.742660 where: bonds (distance) C4'-P energy: -131.770 bonds (distance) P-C4' energy: -143.482 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -211.241 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: 250 Temperature: 1.000000 Total energy: -2399.456566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.456566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.456566 (E_RNA) where: Base-Base interactions energy: -1696.091 where: short stacking energy: -722.360 Base-Backbone interact. energy: -2.802 local terms energy: -700.563743 where: bonds (distance) C4'-P energy: -125.194 bonds (distance) P-C4' energy: -137.379 flat angles C4'-P-C4' energy: -152.838 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -184.355 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: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2226.852365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.852365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.852365 (E_RNA) where: Base-Base interactions energy: -1528.539 where: short stacking energy: -651.629 Base-Backbone interact. energy: -2.542 local terms energy: -695.771796 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -140.641 flat angles C4'-P-C4' energy: -153.245 flat angles P-C4'-P energy: -101.966 tors. eta vs tors. theta energy: -186.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2098.542817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.542817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.542817 (E_RNA) where: Base-Base interactions energy: -1436.570 where: short stacking energy: -650.524 Base-Backbone interact. energy: 2.029 local terms energy: -664.002155 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -130.597 flat angles C4'-P-C4' energy: -140.927 flat angles P-C4'-P energy: -95.358 tors. eta vs tors. theta energy: -168.664 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1978.346099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.346099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.346099 (E_RNA) where: Base-Base interactions energy: -1378.038 where: short stacking energy: -570.821 Base-Backbone interact. energy: -1.817 local terms energy: -598.490800 where: bonds (distance) C4'-P energy: -124.917 bonds (distance) P-C4' energy: -134.469 flat angles C4'-P-C4' energy: -130.144 flat angles P-C4'-P energy: -75.554 tors. eta vs tors. theta energy: -133.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1857.167920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.167920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.167920 (E_RNA) where: Base-Base interactions energy: -1304.366 where: short stacking energy: -568.978 Base-Backbone interact. energy: -1.611 local terms energy: -551.190272 where: bonds (distance) C4'-P energy: -114.653 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -130.564 flat angles P-C4'-P energy: -75.542 tors. eta vs tors. theta energy: -129.970 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: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1814.881198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.881198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.881198 (E_RNA) where: Base-Base interactions energy: -1245.748 where: short stacking energy: -540.758 Base-Backbone interact. energy: 2.586 local terms energy: -571.719921 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -127.813 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -132.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1273.627783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.627783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.627783 (E_RNA) where: Base-Base interactions energy: -821.846 where: short stacking energy: -379.716 Base-Backbone interact. energy: -0.885 local terms energy: -450.896542 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -107.556 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -63.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -910.720909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.720909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.720909 (E_RNA) where: Base-Base interactions energy: -519.447 where: short stacking energy: -275.752 Base-Backbone interact. energy: 2.502 local terms energy: -393.775159 where: bonds (distance) C4'-P energy: -104.562 bonds (distance) P-C4' energy: -118.706 flat angles C4'-P-C4' energy: -88.385 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -31.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2488.652653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.652653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.652653 (E_RNA) where: Base-Base interactions energy: -1729.835 where: short stacking energy: -755.617 Base-Backbone interact. energy: -2.567 local terms energy: -756.250507 where: bonds (distance) C4'-P energy: -141.191 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -156.358 flat angles P-C4'-P energy: -111.652 tors. eta vs tors. theta energy: -213.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2449.046445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.046445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.046445 (E_RNA) where: Base-Base interactions energy: -1709.047 where: short stacking energy: -780.195 Base-Backbone interact. energy: 6.040 local terms energy: -746.038587 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -129.164 flat angles C4'-P-C4' energy: -163.285 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -222.963 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: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2360.730937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.730937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.730937 (E_RNA) where: Base-Base interactions energy: -1661.712 where: short stacking energy: -687.205 Base-Backbone interact. energy: 2.003 local terms energy: -701.022457 where: bonds (distance) C4'-P energy: -119.411 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -145.624 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -192.384 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: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2260.352018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.352018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.352018 (E_RNA) where: Base-Base interactions energy: -1580.710 where: short stacking energy: -689.915 Base-Backbone interact. energy: -4.714 local terms energy: -674.928238 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -104.221 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -186.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2086.726556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.726556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.726556 (E_RNA) where: Base-Base interactions energy: -1434.802 where: short stacking energy: -613.743 Base-Backbone interact. energy: -1.582 local terms energy: -650.341808 where: bonds (distance) C4'-P energy: -117.833 bonds (distance) P-C4' energy: -115.320 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -99.802 tors. eta vs tors. theta energy: -170.720 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: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1969.074735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.074735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.074735 (E_RNA) where: Base-Base interactions energy: -1362.829 where: short stacking energy: -568.381 Base-Backbone interact. energy: -3.908 local terms energy: -602.337927 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -128.157 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -90.597 tors. eta vs tors. theta energy: -145.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1837.596896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.596896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.596896 (E_RNA) where: Base-Base interactions energy: -1269.195 where: short stacking energy: -572.770 Base-Backbone interact. energy: 1.840 local terms energy: -570.241149 where: bonds (distance) C4'-P energy: -90.086 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -133.639 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -131.877 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1736.355067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.355067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.355067 (E_RNA) where: Base-Base interactions energy: -1213.372 where: short stacking energy: -505.054 Base-Backbone interact. energy: -2.712 local terms energy: -520.270829 where: bonds (distance) C4'-P energy: -95.297 bonds (distance) P-C4' energy: -108.216 flat angles C4'-P-C4' energy: -117.133 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -120.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1239.402015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.402015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.402015 (E_RNA) where: Base-Base interactions energy: -826.233 where: short stacking energy: -340.368 Base-Backbone interact. energy: 3.520 local terms energy: -416.689644 where: bonds (distance) C4'-P energy: -90.106 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -93.865 flat angles P-C4'-P energy: -81.558 tors. eta vs tors. theta energy: -47.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -918.363763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.363763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.363763 (E_RNA) where: Base-Base interactions energy: -560.082 where: short stacking energy: -279.734 Base-Backbone interact. energy: 0.209 local terms energy: -358.491379 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -86.073 flat angles P-C4'-P energy: -49.127 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2515.533191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.533191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.533191 (E_RNA) where: Base-Base interactions energy: -1759.030 where: short stacking energy: -743.622 Base-Backbone interact. energy: -1.705 local terms energy: -754.798600 where: bonds (distance) C4'-P energy: -143.096 bonds (distance) P-C4' energy: -138.905 flat angles C4'-P-C4' energy: -154.935 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -214.273 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: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2398.651091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.651091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.651091 (E_RNA) where: Base-Base interactions energy: -1674.483 where: short stacking energy: -736.665 Base-Backbone interact. energy: -1.391 local terms energy: -722.776432 where: bonds (distance) C4'-P energy: -122.755 bonds (distance) P-C4' energy: -128.661 flat angles C4'-P-C4' energy: -155.899 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -206.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2393.581984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.581984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.581984 (E_RNA) where: Base-Base interactions energy: -1724.665 where: short stacking energy: -702.965 Base-Backbone interact. energy: -1.551 local terms energy: -667.366072 where: bonds (distance) C4'-P energy: -126.953 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -145.659 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -172.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2211.087155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.087155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.087155 (E_RNA) where: Base-Base interactions energy: -1536.106 where: short stacking energy: -667.709 Base-Backbone interact. energy: -0.214 local terms energy: -674.982624 where: bonds (distance) C4'-P energy: -104.985 bonds (distance) P-C4' energy: -128.886 flat angles C4'-P-C4' energy: -155.159 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -187.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2089.727675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.727675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.727675 (E_RNA) where: Base-Base interactions energy: -1431.354 where: short stacking energy: -645.482 Base-Backbone interact. energy: -2.031 local terms energy: -656.343248 where: bonds (distance) C4'-P energy: -125.358 bonds (distance) P-C4' energy: -135.592 flat angles C4'-P-C4' energy: -139.880 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -164.909 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: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1934.139298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.139298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.139298 (E_RNA) where: Base-Base interactions energy: -1379.508 where: short stacking energy: -598.686 Base-Backbone interact. energy: 3.228 local terms energy: -557.858991 where: bonds (distance) C4'-P energy: -106.088 bonds (distance) P-C4' energy: -114.893 flat angles C4'-P-C4' energy: -116.185 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -140.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1869.185606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.185606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.185606 (E_RNA) where: Base-Base interactions energy: -1297.862 where: short stacking energy: -557.298 Base-Backbone interact. energy: -4.697 local terms energy: -566.626699 where: bonds (distance) C4'-P energy: -119.444 bonds (distance) P-C4' energy: -106.792 flat angles C4'-P-C4' energy: -117.755 flat angles P-C4'-P energy: -90.834 tors. eta vs tors. theta energy: -131.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1735.299097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.299097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.299097 (E_RNA) where: Base-Base interactions energy: -1165.319 where: short stacking energy: -491.773 Base-Backbone interact. energy: -0.010 local terms energy: -569.969727 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -123.905 flat angles P-C4'-P energy: -90.477 tors. eta vs tors. theta energy: -119.690 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: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1259.021452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.021452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.021452 (E_RNA) where: Base-Base interactions energy: -780.176 where: short stacking energy: -376.963 Base-Backbone interact. energy: -1.620 local terms energy: -479.999290 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -116.487 flat angles P-C4'-P energy: -72.461 tors. eta vs tors. theta energy: -49.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.773 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -940.246167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.246167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.246167 (E_RNA) where: Base-Base interactions energy: -552.434 where: short stacking energy: -242.718 Base-Backbone interact. energy: 2.649 local terms energy: -390.461217 where: bonds (distance) C4'-P energy: -107.537 bonds (distance) P-C4' energy: -112.536 flat angles C4'-P-C4' energy: -102.005 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -2.764 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: 253 Temperature: 0.900000 Total energy: -2503.371037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.371037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.371037 (E_RNA) where: Base-Base interactions energy: -1747.752 where: short stacking energy: -733.976 Base-Backbone interact. energy: -3.661 local terms energy: -751.958531 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -139.723 flat angles C4'-P-C4' energy: -158.440 flat angles P-C4'-P energy: -111.924 tors. eta vs tors. theta energy: -212.057 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: 253 Temperature: 0.950000 Total energy: -2404.560922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.560922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.560922 (E_RNA) where: Base-Base interactions energy: -1681.268 where: short stacking energy: -743.882 Base-Backbone interact. energy: -2.785 local terms energy: -720.508472 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -154.752 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -212.097 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: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2391.370368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.370368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.370368 (E_RNA) where: Base-Base interactions energy: -1677.775 where: short stacking energy: -713.096 Base-Backbone interact. energy: -3.034 local terms energy: -710.561538 where: bonds (distance) C4'-P energy: -133.608 bonds (distance) P-C4' energy: -127.175 flat angles C4'-P-C4' energy: -157.368 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -195.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2211.294282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.294282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.294282 (E_RNA) where: Base-Base interactions energy: -1547.226 where: short stacking energy: -638.515 Base-Backbone interact. energy: -0.584 local terms energy: -664.384442 where: bonds (distance) C4'-P energy: -133.248 bonds (distance) P-C4' energy: -119.857 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -163.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.900 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2086.319716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.319716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.319716 (E_RNA) where: Base-Base interactions energy: -1464.273 where: short stacking energy: -643.369 Base-Backbone interact. energy: -0.064 local terms energy: -621.982915 where: bonds (distance) C4'-P energy: -114.985 bonds (distance) P-C4' energy: -132.570 flat angles C4'-P-C4' energy: -136.558 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -168.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1908.848106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.848106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.848106 (E_RNA) where: Base-Base interactions energy: -1309.078 where: short stacking energy: -573.719 Base-Backbone interact. energy: 0.992 local terms energy: -600.762376 where: bonds (distance) C4'-P energy: -118.194 bonds (distance) P-C4' energy: -118.486 flat angles C4'-P-C4' energy: -148.652 flat angles P-C4'-P energy: -77.145 tors. eta vs tors. theta energy: -138.286 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: 253 Temperature: 1.200000 Total energy: -1854.947709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.947709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.947709 (E_RNA) where: Base-Base interactions energy: -1260.799 where: short stacking energy: -549.966 Base-Backbone interact. energy: -4.236 local terms energy: -589.912119 where: bonds (distance) C4'-P energy: -99.892 bonds (distance) P-C4' energy: -119.987 flat angles C4'-P-C4' energy: -137.938 flat angles P-C4'-P energy: -93.231 tors. eta vs tors. theta energy: -138.864 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: 253 Temperature: 1.250000 Total energy: -1788.011995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.011995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.011995 (E_RNA) where: Base-Base interactions energy: -1254.404 where: short stacking energy: -541.543 Base-Backbone interact. energy: -0.994 local terms energy: -532.613570 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -116.057 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -120.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1264.646022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.646022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.646022 (E_RNA) where: Base-Base interactions energy: -798.001 where: short stacking energy: -381.298 Base-Backbone interact. energy: -1.649 local terms energy: -464.995718 where: bonds (distance) C4'-P energy: -93.854 bonds (distance) P-C4' energy: -102.467 flat angles C4'-P-C4' energy: -114.295 flat angles P-C4'-P energy: -80.651 tors. eta vs tors. theta energy: -73.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -883.656476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.656476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.656476 (E_RNA) where: Base-Base interactions energy: -495.779 where: short stacking energy: -254.192 Base-Backbone interact. energy: -0.114 local terms energy: -387.763952 where: bonds (distance) C4'-P energy: -116.826 bonds (distance) P-C4' energy: -107.137 flat angles C4'-P-C4' energy: -93.078 flat angles P-C4'-P energy: -61.962 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: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2486.520643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.520643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.520643 (E_RNA) where: Base-Base interactions energy: -1744.476 where: short stacking energy: -742.310 Base-Backbone interact. energy: -4.071 local terms energy: -737.973272 where: bonds (distance) C4'-P energy: -129.280 bonds (distance) P-C4' energy: -130.295 flat angles C4'-P-C4' energy: -160.890 flat angles P-C4'-P energy: -110.986 tors. eta vs tors. theta energy: -206.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2450.975085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.975085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.975085 (E_RNA) where: Base-Base interactions energy: -1720.909 where: short stacking energy: -787.469 Base-Backbone interact. energy: 0.498 local terms energy: -730.563627 where: bonds (distance) C4'-P energy: -130.344 bonds (distance) P-C4' energy: -135.180 flat angles C4'-P-C4' energy: -148.448 flat angles P-C4'-P energy: -103.351 tors. eta vs tors. theta energy: -213.241 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: 254 Temperature: 1.000000 Total energy: -2408.041928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.041928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.041928 (E_RNA) where: Base-Base interactions energy: -1678.941 where: short stacking energy: -682.936 Base-Backbone interact. energy: -3.056 local terms energy: -726.044798 where: bonds (distance) C4'-P energy: -118.051 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -157.929 flat angles P-C4'-P energy: -109.389 tors. eta vs tors. theta energy: -189.197 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: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2137.182951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.182951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.182951 (E_RNA) where: Base-Base interactions energy: -1474.735 where: short stacking energy: -632.221 Base-Backbone interact. energy: -3.588 local terms energy: -658.859786 where: bonds (distance) C4'-P energy: -128.503 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -147.300 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -170.554 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: 254 Temperature: 1.100000 Total energy: -2105.432215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.432215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.432215 (E_RNA) where: Base-Base interactions energy: -1470.070 where: short stacking energy: -620.424 Base-Backbone interact. energy: -1.560 local terms energy: -633.802430 where: bonds (distance) C4'-P energy: -118.342 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -126.006 flat angles P-C4'-P energy: -91.285 tors. eta vs tors. theta energy: -161.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1922.870123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.870123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.870123 (E_RNA) where: Base-Base interactions energy: -1336.082 where: short stacking energy: -588.640 Base-Backbone interact. energy: -2.859 local terms energy: -583.928846 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -120.413 flat angles C4'-P-C4' energy: -129.335 flat angles P-C4'-P energy: -83.792 tors. eta vs tors. theta energy: -140.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1844.732076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.732076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.732076 (E_RNA) where: Base-Base interactions energy: -1243.585 where: short stacking energy: -546.354 Base-Backbone interact. energy: -3.229 local terms energy: -597.918778 where: bonds (distance) C4'-P energy: -104.100 bonds (distance) P-C4' energy: -131.214 flat angles C4'-P-C4' energy: -139.396 flat angles P-C4'-P energy: -80.608 tors. eta vs tors. theta energy: -142.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1784.703335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.703335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.703335 (E_RNA) where: Base-Base interactions energy: -1234.739 where: short stacking energy: -525.016 Base-Backbone interact. energy: -2.140 local terms energy: -547.824664 where: bonds (distance) C4'-P energy: -98.739 bonds (distance) P-C4' energy: -104.973 flat angles C4'-P-C4' energy: -125.715 flat angles P-C4'-P energy: -90.723 tors. eta vs tors. theta energy: -127.675 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: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1224.272048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.272048 (E_RNA) where: Base-Base interactions energy: -793.448 where: short stacking energy: -374.614 Base-Backbone interact. energy: -3.104 local terms energy: -427.719880 where: bonds (distance) C4'-P energy: -92.279 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -86.924 flat angles P-C4'-P energy: -72.450 tors. eta vs tors. theta energy: -63.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -804.802032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.802032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.802032 (E_RNA) where: Base-Base interactions energy: -429.429 where: short stacking energy: -241.623 Base-Backbone interact. energy: -2.746 local terms energy: -372.627778 where: bonds (distance) C4'-P energy: -105.302 bonds (distance) P-C4' energy: -114.944 flat angles C4'-P-C4' energy: -99.537 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2482.195882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.195882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.195882 (E_RNA) where: Base-Base interactions energy: -1737.725 where: short stacking energy: -724.443 Base-Backbone interact. energy: -2.336 local terms energy: -742.134717 where: bonds (distance) C4'-P energy: -132.977 bonds (distance) P-C4' energy: -138.956 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -212.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2443.475140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.475140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.475140 (E_RNA) where: Base-Base interactions energy: -1721.610 where: short stacking energy: -710.201 Base-Backbone interact. energy: -1.458 local terms energy: -720.406896 where: bonds (distance) C4'-P energy: -136.408 bonds (distance) P-C4' energy: -140.263 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -100.770 tors. eta vs tors. theta energy: -193.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2380.017433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.017433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.017433 (E_RNA) where: Base-Base interactions energy: -1666.355 where: short stacking energy: -738.322 Base-Backbone interact. energy: -2.548 local terms energy: -711.114907 where: bonds (distance) C4'-P energy: -135.021 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -142.003 flat angles P-C4'-P energy: -97.750 tors. eta vs tors. theta energy: -211.596 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: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2218.117195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.117195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.117195 (E_RNA) where: Base-Base interactions energy: -1546.748 where: short stacking energy: -681.439 Base-Backbone interact. energy: -2.340 local terms energy: -669.028684 where: bonds (distance) C4'-P energy: -125.121 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -144.047 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -172.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2130.558367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.558367 (E_RNA) where: Base-Base interactions energy: -1489.252 where: short stacking energy: -639.414 Base-Backbone interact. energy: -3.437 local terms energy: -637.869517 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -114.457 flat angles C4'-P-C4' energy: -143.070 flat angles P-C4'-P energy: -89.863 tors. eta vs tors. theta energy: -167.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1874.269773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.269773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.269773 (E_RNA) where: Base-Base interactions energy: -1272.714 where: short stacking energy: -528.871 Base-Backbone interact. energy: -1.323 local terms energy: -600.233204 where: bonds (distance) C4'-P energy: -117.577 bonds (distance) P-C4' energy: -124.635 flat angles C4'-P-C4' energy: -136.631 flat angles P-C4'-P energy: -85.189 tors. eta vs tors. theta energy: -136.201 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: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1877.483899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.483899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.483899 (E_RNA) where: Base-Base interactions energy: -1302.700 where: short stacking energy: -557.755 Base-Backbone interact. energy: -1.609 local terms energy: -573.175087 where: bonds (distance) C4'-P energy: -112.048 bonds (distance) P-C4' energy: -127.168 flat angles C4'-P-C4' energy: -125.672 flat angles P-C4'-P energy: -75.362 tors. eta vs tors. theta energy: -132.925 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: 255 Temperature: 1.250000 Total energy: -1781.985938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.985938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.985938 (E_RNA) where: Base-Base interactions energy: -1225.443 where: short stacking energy: -543.524 Base-Backbone interact. energy: -0.074 local terms energy: -556.468730 where: bonds (distance) C4'-P energy: -107.203 bonds (distance) P-C4' energy: -114.981 flat angles C4'-P-C4' energy: -123.048 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -128.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1213.933728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.933728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.933728 (E_RNA) where: Base-Base interactions energy: -776.712 where: short stacking energy: -345.423 Base-Backbone interact. energy: -0.486 local terms energy: -436.736010 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -50.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -813.352693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.352693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.352693 (E_RNA) where: Base-Base interactions energy: -428.151 where: short stacking energy: -261.350 Base-Backbone interact. energy: -2.844 local terms energy: -382.357572 where: bonds (distance) C4'-P energy: -102.755 bonds (distance) P-C4' energy: -111.722 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -46.206 tors. eta vs tors. theta energy: -20.830 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: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2485.398283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.398283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.398283 (E_RNA) where: Base-Base interactions energy: -1736.323 where: short stacking energy: -757.472 Base-Backbone interact. energy: -2.320 local terms energy: -746.755538 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -135.582 flat angles C4'-P-C4' energy: -159.945 flat angles P-C4'-P energy: -112.765 tors. eta vs tors. theta energy: -215.975 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: 256 Temperature: 0.950000 Total energy: -2423.482028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.482028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.482028 (E_RNA) where: Base-Base interactions energy: -1702.791 where: short stacking energy: -706.901 Base-Backbone interact. energy: -1.176 local terms energy: -719.514340 where: bonds (distance) C4'-P energy: -139.635 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -150.615 flat angles P-C4'-P energy: -101.757 tors. eta vs tors. theta energy: -187.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2342.577139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.577139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.577139 (E_RNA) where: Base-Base interactions energy: -1653.841 where: short stacking energy: -731.082 Base-Backbone interact. energy: -0.242 local terms energy: -688.493836 where: bonds (distance) C4'-P energy: -107.573 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -108.605 tors. eta vs tors. theta energy: -197.985 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: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2230.480655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.480655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.480655 (E_RNA) where: Base-Base interactions energy: -1520.199 where: short stacking energy: -688.318 Base-Backbone interact. energy: -1.655 local terms energy: -708.626089 where: bonds (distance) C4'-P energy: -123.287 bonds (distance) P-C4' energy: -134.053 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -194.828 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2104.206361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.206361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.206361 (E_RNA) where: Base-Base interactions energy: -1440.207 where: short stacking energy: -634.437 Base-Backbone interact. energy: 0.123 local terms energy: -664.122335 where: bonds (distance) C4'-P energy: -117.336 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -155.737 flat angles P-C4'-P energy: -87.862 tors. eta vs tors. theta energy: -175.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1956.047471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.047471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.047471 (E_RNA) where: Base-Base interactions energy: -1356.197 where: short stacking energy: -586.479 Base-Backbone interact. energy: -4.718 local terms energy: -595.132109 where: bonds (distance) C4'-P energy: -122.390 bonds (distance) P-C4' energy: -116.369 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -70.253 tors. eta vs tors. theta energy: -153.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1852.629596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.629596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.629596 (E_RNA) where: Base-Base interactions energy: -1268.160 where: short stacking energy: -542.914 Base-Backbone interact. energy: -1.687 local terms energy: -582.782734 where: bonds (distance) C4'-P energy: -107.448 bonds (distance) P-C4' energy: -132.648 flat angles C4'-P-C4' energy: -118.238 flat angles P-C4'-P energy: -82.005 tors. eta vs tors. theta energy: -142.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1797.221180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.221180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.221180 (E_RNA) where: Base-Base interactions energy: -1258.565 where: short stacking energy: -504.247 Base-Backbone interact. energy: -1.244 local terms energy: -537.412105 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -101.064 flat angles C4'-P-C4' energy: -114.302 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -129.704 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: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1221.906020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.906020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.906020 (E_RNA) where: Base-Base interactions energy: -752.794 where: short stacking energy: -371.147 Base-Backbone interact. energy: -1.566 local terms energy: -467.545662 where: bonds (distance) C4'-P energy: -111.408 bonds (distance) P-C4' energy: -119.082 flat angles C4'-P-C4' energy: -98.421 flat angles P-C4'-P energy: -70.331 tors. eta vs tors. theta energy: -68.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -755.388690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.388690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.388690 (E_RNA) where: Base-Base interactions energy: -395.238 where: short stacking energy: -223.300 Base-Backbone interact. energy: 2.094 local terms energy: -362.244135 where: bonds (distance) C4'-P energy: -107.908 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -100.586 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: 9.489 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: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2510.849669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.849669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.849669 (E_RNA) where: Base-Base interactions energy: -1762.248 where: short stacking energy: -726.095 Base-Backbone interact. energy: -5.434 local terms energy: -743.166764 where: bonds (distance) C4'-P energy: -136.884 bonds (distance) P-C4' energy: -140.147 flat angles C4'-P-C4' energy: -151.363 flat angles P-C4'-P energy: -101.006 tors. eta vs tors. theta energy: -213.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2446.271862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.271862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.271862 (E_RNA) where: Base-Base interactions energy: -1713.178 where: short stacking energy: -723.279 Base-Backbone interact. energy: -3.503 local terms energy: -729.591166 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -137.841 flat angles C4'-P-C4' energy: -149.722 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -206.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2341.779994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.779994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.779994 (E_RNA) where: Base-Base interactions energy: -1656.177 where: short stacking energy: -731.812 Base-Backbone interact. energy: -2.267 local terms energy: -683.335808 where: bonds (distance) C4'-P energy: -114.812 bonds (distance) P-C4' energy: -124.956 flat angles C4'-P-C4' energy: -147.232 flat angles P-C4'-P energy: -91.444 tors. eta vs tors. theta energy: -204.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2265.635094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.635094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.635094 (E_RNA) where: Base-Base interactions energy: -1590.681 where: short stacking energy: -700.029 Base-Backbone interact. energy: -0.679 local terms energy: -674.275424 where: bonds (distance) C4'-P energy: -119.353 bonds (distance) P-C4' energy: -123.063 flat angles C4'-P-C4' energy: -148.367 flat angles P-C4'-P energy: -97.160 tors. eta vs tors. theta energy: -186.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2100.608470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.608470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.608470 (E_RNA) where: Base-Base interactions energy: -1453.073 where: short stacking energy: -649.830 Base-Backbone interact. energy: -3.141 local terms energy: -646.902839 where: bonds (distance) C4'-P energy: -119.970 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -136.810 flat angles P-C4'-P energy: -99.339 tors. eta vs tors. theta energy: -168.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.509 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1945.425796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.425796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.425796 (E_RNA) where: Base-Base interactions energy: -1335.142 where: short stacking energy: -617.074 Base-Backbone interact. energy: 0.318 local terms energy: -610.602070 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -117.076 flat angles C4'-P-C4' energy: -137.492 flat angles P-C4'-P energy: -75.602 tors. eta vs tors. theta energy: -164.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1855.295826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.295826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.295826 (E_RNA) where: Base-Base interactions energy: -1298.364 where: short stacking energy: -579.069 Base-Backbone interact. energy: 0.754 local terms energy: -557.685052 where: bonds (distance) C4'-P energy: -109.874 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -121.131 flat angles P-C4'-P energy: -67.487 tors. eta vs tors. theta energy: -141.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1802.209128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.209128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.209128 (E_RNA) where: Base-Base interactions energy: -1273.505 where: short stacking energy: -522.756 Base-Backbone interact. energy: -4.187 local terms energy: -524.517290 where: bonds (distance) C4'-P energy: -107.170 bonds (distance) P-C4' energy: -94.131 flat angles C4'-P-C4' energy: -121.922 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -122.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1182.437677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.437677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.437677 (E_RNA) where: Base-Base interactions energy: -714.321 where: short stacking energy: -345.452 Base-Backbone interact. energy: -2.852 local terms energy: -465.264751 where: bonds (distance) C4'-P energy: -109.850 bonds (distance) P-C4' energy: -120.862 flat angles C4'-P-C4' energy: -111.909 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -56.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -785.075063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.075063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.075063 (E_RNA) where: Base-Base interactions energy: -423.242 where: short stacking energy: -230.965 Base-Backbone interact. energy: 2.911 local terms energy: -364.744427 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -97.560 flat angles C4'-P-C4' energy: -111.592 flat angles P-C4'-P energy: -46.825 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2488.611784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.611784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.611784 (E_RNA) where: Base-Base interactions energy: -1730.902 where: short stacking energy: -732.491 Base-Backbone interact. energy: -2.491 local terms energy: -755.219279 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -143.061 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -104.494 tors. eta vs tors. theta energy: -207.657 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: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2439.161810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.161810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.161810 (E_RNA) where: Base-Base interactions energy: -1717.399 where: short stacking energy: -715.401 Base-Backbone interact. energy: -1.169 local terms energy: -720.594633 where: bonds (distance) C4'-P energy: -133.841 bonds (distance) P-C4' energy: -150.041 flat angles C4'-P-C4' energy: -142.325 flat angles P-C4'-P energy: -106.059 tors. eta vs tors. theta energy: -188.328 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: 258 Temperature: 1.000000 Total energy: -2364.727894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.727894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.727894 (E_RNA) where: Base-Base interactions energy: -1638.771 where: short stacking energy: -700.697 Base-Backbone interact. energy: -1.183 local terms energy: -724.774086 where: bonds (distance) C4'-P energy: -135.622 bonds (distance) P-C4' energy: -144.841 flat angles C4'-P-C4' energy: -138.606 flat angles P-C4'-P energy: -100.174 tors. eta vs tors. theta energy: -205.532 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: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2200.148495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.148495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.148495 (E_RNA) where: Base-Base interactions energy: -1511.572 where: short stacking energy: -674.076 Base-Backbone interact. energy: -1.804 local terms energy: -686.772240 where: bonds (distance) C4'-P energy: -120.251 bonds (distance) P-C4' energy: -137.855 flat angles C4'-P-C4' energy: -145.873 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -185.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2099.343536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.343536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.343536 (E_RNA) where: Base-Base interactions energy: -1432.444 where: short stacking energy: -643.512 Base-Backbone interact. energy: -0.484 local terms energy: -666.415693 where: bonds (distance) C4'-P energy: -123.910 bonds (distance) P-C4' energy: -128.212 flat angles C4'-P-C4' energy: -139.958 flat angles P-C4'-P energy: -101.090 tors. eta vs tors. theta energy: -173.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1960.190654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.190654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.190654 (E_RNA) where: Base-Base interactions energy: -1355.404 where: short stacking energy: -551.844 Base-Backbone interact. energy: -3.656 local terms energy: -601.130265 where: bonds (distance) C4'-P energy: -118.164 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -130.247 flat angles P-C4'-P energy: -80.355 tors. eta vs tors. theta energy: -145.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1870.364770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.364770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.364770 (E_RNA) where: Base-Base interactions energy: -1302.370 where: short stacking energy: -572.530 Base-Backbone interact. energy: -1.138 local terms energy: -566.856371 where: bonds (distance) C4'-P energy: -90.068 bonds (distance) P-C4' energy: -126.528 flat angles C4'-P-C4' energy: -129.749 flat angles P-C4'-P energy: -86.717 tors. eta vs tors. theta energy: -133.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1791.805575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.805575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.805575 (E_RNA) where: Base-Base interactions energy: -1230.734 where: short stacking energy: -535.596 Base-Backbone interact. energy: -0.776 local terms energy: -560.295512 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -124.059 flat angles C4'-P-C4' energy: -121.121 flat angles P-C4'-P energy: -81.404 tors. eta vs tors. theta energy: -130.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1224.248294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.248294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.248294 (E_RNA) where: Base-Base interactions energy: -730.584 where: short stacking energy: -344.265 Base-Backbone interact. energy: 0.627 local terms energy: -494.291130 where: bonds (distance) C4'-P energy: -123.178 bonds (distance) P-C4' energy: -116.998 flat angles C4'-P-C4' energy: -105.283 flat angles P-C4'-P energy: -81.018 tors. eta vs tors. theta energy: -67.814 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: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -746.404891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.404891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.404891 (E_RNA) where: Base-Base interactions energy: -364.036 where: short stacking energy: -212.341 Base-Backbone interact. energy: 0.595 local terms energy: -382.963527 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -120.974 flat angles C4'-P-C4' energy: -81.746 flat angles P-C4'-P energy: -65.837 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2503.324535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.324535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.324535 (E_RNA) where: Base-Base interactions energy: -1739.193 where: short stacking energy: -716.720 Base-Backbone interact. energy: -4.671 local terms energy: -759.460541 where: bonds (distance) C4'-P energy: -137.448 bonds (distance) P-C4' energy: -136.930 flat angles C4'-P-C4' energy: -157.279 flat angles P-C4'-P energy: -112.496 tors. eta vs tors. theta energy: -215.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2448.233768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.233768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.233768 (E_RNA) where: Base-Base interactions energy: -1744.645 where: short stacking energy: -703.369 Base-Backbone interact. energy: 8.516 local terms energy: -712.104728 where: bonds (distance) C4'-P energy: -145.396 bonds (distance) P-C4' energy: -126.389 flat angles C4'-P-C4' energy: -152.965 flat angles P-C4'-P energy: -98.042 tors. eta vs tors. theta energy: -189.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2417.766751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.766751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.766751 (E_RNA) where: Base-Base interactions energy: -1701.794 where: short stacking energy: -751.984 Base-Backbone interact. energy: -2.779 local terms energy: -713.193889 where: bonds (distance) C4'-P energy: -129.671 bonds (distance) P-C4' energy: -112.230 flat angles C4'-P-C4' energy: -150.350 flat angles P-C4'-P energy: -110.961 tors. eta vs tors. theta energy: -209.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2235.717572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.717572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.717572 (E_RNA) where: Base-Base interactions energy: -1572.904 where: short stacking energy: -687.398 Base-Backbone interact. energy: -1.151 local terms energy: -661.662612 where: bonds (distance) C4'-P energy: -142.885 bonds (distance) P-C4' energy: -119.628 flat angles C4'-P-C4' energy: -130.186 flat angles P-C4'-P energy: -88.914 tors. eta vs tors. theta energy: -180.050 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: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2092.580554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.580554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.580554 (E_RNA) where: Base-Base interactions energy: -1448.205 where: short stacking energy: -624.110 Base-Backbone interact. energy: -1.318 local terms energy: -643.057880 where: bonds (distance) C4'-P energy: -122.888 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -144.232 flat angles P-C4'-P energy: -95.409 tors. eta vs tors. theta energy: -166.409 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: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1930.364682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.364682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.364682 (E_RNA) where: Base-Base interactions energy: -1312.637 where: short stacking energy: -574.952 Base-Backbone interact. energy: -1.589 local terms energy: -616.138496 where: bonds (distance) C4'-P energy: -111.301 bonds (distance) P-C4' energy: -144.505 flat angles C4'-P-C4' energy: -137.968 flat angles P-C4'-P energy: -80.846 tors. eta vs tors. theta energy: -141.518 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: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1868.189945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.189945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.189945 (E_RNA) where: Base-Base interactions energy: -1307.959 where: short stacking energy: -566.367 Base-Backbone interact. energy: -1.744 local terms energy: -558.487090 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -126.025 flat angles C4'-P-C4' energy: -117.097 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -134.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1755.973355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.973355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.973355 (E_RNA) where: Base-Base interactions energy: -1240.441 where: short stacking energy: -530.723 Base-Backbone interact. energy: 5.711 local terms energy: -521.243417 where: bonds (distance) C4'-P energy: -98.478 bonds (distance) P-C4' energy: -109.136 flat angles C4'-P-C4' energy: -114.263 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -119.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1217.767920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.767920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.767920 (E_RNA) where: Base-Base interactions energy: -776.333 where: short stacking energy: -357.259 Base-Backbone interact. energy: -1.010 local terms energy: -440.424536 where: bonds (distance) C4'-P energy: -106.381 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -105.528 flat angles P-C4'-P energy: -73.170 tors. eta vs tors. theta energy: -56.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -815.149474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.149474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.149474 (E_RNA) where: Base-Base interactions energy: -459.532 where: short stacking energy: -247.440 Base-Backbone interact. energy: 5.007 local terms energy: -360.624871 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -102.697 flat angles P-C4'-P energy: -40.989 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2500.544295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.544295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.544295 (E_RNA) where: Base-Base interactions energy: -1754.093 where: short stacking energy: -767.480 Base-Backbone interact. energy: -0.336 local terms energy: -746.115520 where: bonds (distance) C4'-P energy: -131.203 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -154.984 flat angles P-C4'-P energy: -109.634 tors. eta vs tors. theta energy: -208.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2428.141793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.141793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.141793 (E_RNA) where: Base-Base interactions energy: -1692.050 where: short stacking energy: -689.376 Base-Backbone interact. energy: -0.280 local terms energy: -735.811119 where: bonds (distance) C4'-P energy: -134.120 bonds (distance) P-C4' energy: -148.251 flat angles C4'-P-C4' energy: -148.905 flat angles P-C4'-P energy: -107.728 tors. eta vs tors. theta energy: -196.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2385.860891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.860891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.860891 (E_RNA) where: Base-Base interactions energy: -1668.633 where: short stacking energy: -765.712 Base-Backbone interact. energy: -0.236 local terms energy: -716.991894 where: bonds (distance) C4'-P energy: -114.689 bonds (distance) P-C4' energy: -135.054 flat angles C4'-P-C4' energy: -150.750 flat angles P-C4'-P energy: -98.967 tors. eta vs tors. theta energy: -217.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2243.117541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.117541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.117541 (E_RNA) where: Base-Base interactions energy: -1554.593 where: short stacking energy: -697.747 Base-Backbone interact. energy: -3.580 local terms energy: -684.944457 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -124.280 flat angles C4'-P-C4' energy: -135.551 flat angles P-C4'-P energy: -106.425 tors. eta vs tors. theta energy: -195.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2102.846334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.846334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.846334 (E_RNA) where: Base-Base interactions energy: -1445.329 where: short stacking energy: -615.358 Base-Backbone interact. energy: 0.258 local terms energy: -659.175776 where: bonds (distance) C4'-P energy: -118.711 bonds (distance) P-C4' energy: -137.906 flat angles C4'-P-C4' energy: -144.044 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -164.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.401 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1896.202607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.202607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.202607 (E_RNA) where: Base-Base interactions energy: -1328.404 where: short stacking energy: -557.163 Base-Backbone interact. energy: -2.213 local terms energy: -565.585272 where: bonds (distance) C4'-P energy: -116.032 bonds (distance) P-C4' energy: -110.518 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -147.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1925.682247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.682247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.682247 (E_RNA) where: Base-Base interactions energy: -1312.227 where: short stacking energy: -565.196 Base-Backbone interact. energy: -1.820 local terms energy: -611.634587 where: bonds (distance) C4'-P energy: -130.651 bonds (distance) P-C4' energy: -127.513 flat angles C4'-P-C4' energy: -126.227 flat angles P-C4'-P energy: -84.231 tors. eta vs tors. theta energy: -143.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1791.243073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.243073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.243073 (E_RNA) where: Base-Base interactions energy: -1280.205 where: short stacking energy: -532.524 Base-Backbone interact. energy: -2.829 local terms energy: -508.209093 where: bonds (distance) C4'-P energy: -99.900 bonds (distance) P-C4' energy: -94.509 flat angles C4'-P-C4' energy: -119.869 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: -125.849 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: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1263.679858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.679858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.679858 (E_RNA) where: Base-Base interactions energy: -806.054 where: short stacking energy: -364.147 Base-Backbone interact. energy: -1.695 local terms energy: -455.931347 where: bonds (distance) C4'-P energy: -111.668 bonds (distance) P-C4' energy: -131.410 flat angles C4'-P-C4' energy: -108.046 flat angles P-C4'-P energy: -52.134 tors. eta vs tors. theta energy: -52.673 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: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -791.769188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.769188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.769188 (E_RNA) where: Base-Base interactions energy: -404.399 where: short stacking energy: -218.937 Base-Backbone interact. energy: -2.183 local terms energy: -385.187153 where: bonds (distance) C4'-P energy: -112.911 bonds (distance) P-C4' energy: -119.084 flat angles C4'-P-C4' energy: -106.610 flat angles P-C4'-P energy: -52.748 tors. eta vs tors. theta energy: 6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2501.924301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.924301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.924301 (E_RNA) where: Base-Base interactions energy: -1745.588 where: short stacking energy: -736.942 Base-Backbone interact. energy: -1.015 local terms energy: -755.322009 where: bonds (distance) C4'-P energy: -136.949 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -154.880 flat angles P-C4'-P energy: -103.837 tors. eta vs tors. theta energy: -215.356 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: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2418.976980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.976980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.976980 (E_RNA) where: Base-Base interactions energy: -1682.345 where: short stacking energy: -751.584 Base-Backbone interact. energy: -2.012 local terms energy: -734.620557 where: bonds (distance) C4'-P energy: -115.192 bonds (distance) P-C4' energy: -144.029 flat angles C4'-P-C4' energy: -154.744 flat angles P-C4'-P energy: -105.344 tors. eta vs tors. theta energy: -215.311 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: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2397.889825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.889825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.889825 (E_RNA) where: Base-Base interactions energy: -1697.924 where: short stacking energy: -675.033 Base-Backbone interact. energy: -0.777 local terms energy: -699.189227 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -134.049 flat angles C4'-P-C4' energy: -144.012 flat angles P-C4'-P energy: -98.606 tors. eta vs tors. theta energy: -182.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2248.518247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.518247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.518247 (E_RNA) where: Base-Base interactions energy: -1564.934 where: short stacking energy: -686.674 Base-Backbone interact. energy: -2.595 local terms energy: -680.989694 where: bonds (distance) C4'-P energy: -119.409 bonds (distance) P-C4' energy: -126.841 flat angles C4'-P-C4' energy: -153.876 flat angles P-C4'-P energy: -104.037 tors. eta vs tors. theta energy: -176.826 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: 261 Temperature: 1.100000 Total energy: -2121.167827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.167827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.167827 (E_RNA) where: Base-Base interactions energy: -1479.074 where: short stacking energy: -633.286 Base-Backbone interact. energy: 0.543 local terms energy: -643.713566 where: bonds (distance) C4'-P energy: -108.480 bonds (distance) P-C4' energy: -121.265 flat angles C4'-P-C4' energy: -147.136 flat angles P-C4'-P energy: -97.272 tors. eta vs tors. theta energy: -169.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.077 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2018.482051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.482051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.482051 (E_RNA) where: Base-Base interactions energy: -1396.764 where: short stacking energy: -606.861 Base-Backbone interact. energy: -1.266 local terms energy: -620.452196 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -129.049 flat angles C4'-P-C4' energy: -136.580 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -152.496 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: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1839.906497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.906497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.906497 (E_RNA) where: Base-Base interactions energy: -1279.623 where: short stacking energy: -549.242 Base-Backbone interact. energy: -0.998 local terms energy: -559.285446 where: bonds (distance) C4'-P energy: -109.046 bonds (distance) P-C4' energy: -124.683 flat angles C4'-P-C4' energy: -134.511 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: -123.712 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: 261 Temperature: 1.250000 Total energy: -1785.274647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.274647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.274647 (E_RNA) where: Base-Base interactions energy: -1226.969 where: short stacking energy: -527.771 Base-Backbone interact. energy: 1.051 local terms energy: -559.357070 where: bonds (distance) C4'-P energy: -114.269 bonds (distance) P-C4' energy: -117.248 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -122.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1249.215443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.215443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.215443 (E_RNA) where: Base-Base interactions energy: -776.241 where: short stacking energy: -359.297 Base-Backbone interact. energy: -1.021 local terms energy: -471.953769 where: bonds (distance) C4'-P energy: -107.925 bonds (distance) P-C4' energy: -112.207 flat angles C4'-P-C4' energy: -116.939 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -68.506 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -783.235760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.235760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.235760 (E_RNA) where: Base-Base interactions energy: -401.446 where: short stacking energy: -237.898 Base-Backbone interact. energy: 0.535 local terms energy: -382.324782 where: bonds (distance) C4'-P energy: -95.728 bonds (distance) P-C4' energy: -117.347 flat angles C4'-P-C4' energy: -98.991 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2481.825531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.825531 (E_RNA) where: Base-Base interactions energy: -1748.110 where: short stacking energy: -734.067 Base-Backbone interact. energy: -3.630 local terms energy: -730.085368 where: bonds (distance) C4'-P energy: -121.159 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -155.960 flat angles P-C4'-P energy: -114.042 tors. eta vs tors. theta energy: -200.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2475.318072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.318072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.318072 (E_RNA) where: Base-Base interactions energy: -1722.856 where: short stacking energy: -775.983 Base-Backbone interact. energy: -1.240 local terms energy: -751.221760 where: bonds (distance) C4'-P energy: -129.270 bonds (distance) P-C4' energy: -127.219 flat angles C4'-P-C4' energy: -161.426 flat angles P-C4'-P energy: -106.879 tors. eta vs tors. theta energy: -226.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2409.292052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.292052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.292052 (E_RNA) where: Base-Base interactions energy: -1724.257 where: short stacking energy: -702.428 Base-Backbone interact. energy: -0.361 local terms energy: -684.674003 where: bonds (distance) C4'-P energy: -130.117 bonds (distance) P-C4' energy: -133.353 flat angles C4'-P-C4' energy: -146.885 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: -180.177 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: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2243.042881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.042881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.042881 (E_RNA) where: Base-Base interactions energy: -1532.865 where: short stacking energy: -696.124 Base-Backbone interact. energy: -3.443 local terms energy: -706.735323 where: bonds (distance) C4'-P energy: -119.182 bonds (distance) P-C4' energy: -142.364 flat angles C4'-P-C4' energy: -154.821 flat angles P-C4'-P energy: -85.648 tors. eta vs tors. theta energy: -204.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2094.074216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.074216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.074216 (E_RNA) where: Base-Base interactions energy: -1477.323 where: short stacking energy: -625.011 Base-Backbone interact. energy: -0.909 local terms energy: -615.841705 where: bonds (distance) C4'-P energy: -113.632 bonds (distance) P-C4' energy: -112.050 flat angles C4'-P-C4' energy: -140.785 flat angles P-C4'-P energy: -78.573 tors. eta vs tors. theta energy: -170.802 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: 262 Temperature: 1.150000 Total energy: -1959.439572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.439572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.439572 (E_RNA) where: Base-Base interactions energy: -1355.263 where: short stacking energy: -592.234 Base-Backbone interact. energy: 0.178 local terms energy: -604.355432 where: bonds (distance) C4'-P energy: -118.620 bonds (distance) P-C4' energy: -129.330 flat angles C4'-P-C4' energy: -134.748 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -143.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1892.155301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.155301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.155301 (E_RNA) where: Base-Base interactions energy: -1304.673 where: short stacking energy: -580.106 Base-Backbone interact. energy: 1.897 local terms energy: -589.378773 where: bonds (distance) C4'-P energy: -111.957 bonds (distance) P-C4' energy: -124.967 flat angles C4'-P-C4' energy: -123.284 flat angles P-C4'-P energy: -79.083 tors. eta vs tors. theta energy: -150.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1789.646536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.646536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.646536 (E_RNA) where: Base-Base interactions energy: -1214.432 where: short stacking energy: -516.503 Base-Backbone interact. energy: -1.958 local terms energy: -573.256504 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -114.415 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -137.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1225.734064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.734064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.734064 (E_RNA) where: Base-Base interactions energy: -812.083 where: short stacking energy: -375.161 Base-Backbone interact. energy: -0.511 local terms energy: -413.140103 where: bonds (distance) C4'-P energy: -92.205 bonds (distance) P-C4' energy: -87.204 flat angles C4'-P-C4' energy: -103.320 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: -71.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -760.617496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.617496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.617496 (E_RNA) where: Base-Base interactions energy: -405.474 where: short stacking energy: -231.575 Base-Backbone interact. energy: -3.208 local terms energy: -351.935545 where: bonds (distance) C4'-P energy: -113.133 bonds (distance) P-C4' energy: -108.588 flat angles C4'-P-C4' energy: -94.971 flat angles P-C4'-P energy: -46.594 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: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2488.851338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.851338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.851338 (E_RNA) where: Base-Base interactions energy: -1724.429 where: short stacking energy: -733.510 Base-Backbone interact. energy: -3.813 local terms energy: -760.609486 where: bonds (distance) C4'-P energy: -136.554 bonds (distance) P-C4' energy: -144.525 flat angles C4'-P-C4' energy: -164.137 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -212.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2467.938841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.938841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.938841 (E_RNA) where: Base-Base interactions energy: -1729.928 where: short stacking energy: -748.939 Base-Backbone interact. energy: -1.302 local terms energy: -736.708910 where: bonds (distance) C4'-P energy: -120.650 bonds (distance) P-C4' energy: -143.494 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -102.172 tors. eta vs tors. theta energy: -213.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2376.729442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.729442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.729442 (E_RNA) where: Base-Base interactions energy: -1704.252 where: short stacking energy: -686.568 Base-Backbone interact. energy: -1.386 local terms energy: -671.091299 where: bonds (distance) C4'-P energy: -124.929 bonds (distance) P-C4' energy: -121.426 flat angles C4'-P-C4' energy: -145.203 flat angles P-C4'-P energy: -93.864 tors. eta vs tors. theta energy: -185.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2247.326495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.326495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.326495 (E_RNA) where: Base-Base interactions energy: -1531.123 where: short stacking energy: -666.030 Base-Backbone interact. energy: -3.224 local terms energy: -712.979309 where: bonds (distance) C4'-P energy: -141.945 bonds (distance) P-C4' energy: -137.550 flat angles C4'-P-C4' energy: -139.614 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -186.975 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: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2093.366874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.366874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.366874 (E_RNA) where: Base-Base interactions energy: -1435.787 where: short stacking energy: -600.910 Base-Backbone interact. energy: 3.849 local terms energy: -661.428960 where: bonds (distance) C4'-P energy: -126.255 bonds (distance) P-C4' energy: -128.929 flat angles C4'-P-C4' energy: -142.583 flat angles P-C4'-P energy: -100.422 tors. eta vs tors. theta energy: -163.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1966.772678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.772678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.772678 (E_RNA) where: Base-Base interactions energy: -1372.309 where: short stacking energy: -600.508 Base-Backbone interact. energy: -0.277 local terms energy: -594.187283 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -116.569 flat angles C4'-P-C4' energy: -142.140 flat angles P-C4'-P energy: -91.909 tors. eta vs tors. theta energy: -147.712 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: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1863.005402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.005402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.005402 (E_RNA) where: Base-Base interactions energy: -1285.416 where: short stacking energy: -543.826 Base-Backbone interact. energy: 2.215 local terms energy: -579.804317 where: bonds (distance) C4'-P energy: -100.106 bonds (distance) P-C4' energy: -128.067 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -89.379 tors. eta vs tors. theta energy: -134.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1728.980225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.980225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.980225 (E_RNA) where: Base-Base interactions energy: -1186.681 where: short stacking energy: -496.488 Base-Backbone interact. energy: -1.492 local terms energy: -540.807684 where: bonds (distance) C4'-P energy: -110.040 bonds (distance) P-C4' energy: -128.272 flat angles C4'-P-C4' energy: -116.319 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -106.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1246.427676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.427676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.427676 (E_RNA) where: Base-Base interactions energy: -821.901 where: short stacking energy: -347.430 Base-Backbone interact. energy: -1.245 local terms energy: -423.281330 where: bonds (distance) C4'-P energy: -97.031 bonds (distance) P-C4' energy: -109.964 flat angles C4'-P-C4' energy: -109.488 flat angles P-C4'-P energy: -62.204 tors. eta vs tors. theta energy: -44.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -764.958526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.958526 (E_RNA) where: Base-Base interactions energy: -373.299 where: short stacking energy: -210.136 Base-Backbone interact. energy: -1.746 local terms energy: -389.913649 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -113.388 flat angles C4'-P-C4' energy: -112.856 flat angles P-C4'-P energy: -52.411 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2506.373153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.373153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.373153 (E_RNA) where: Base-Base interactions energy: -1710.710 where: short stacking energy: -758.153 Base-Backbone interact. energy: -3.271 local terms energy: -792.392013 where: bonds (distance) C4'-P energy: -144.647 bonds (distance) P-C4' energy: -154.343 flat angles C4'-P-C4' energy: -165.916 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -223.889 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: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2421.558240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.558240 (E_RNA) where: Base-Base interactions energy: -1702.342 where: short stacking energy: -699.094 Base-Backbone interact. energy: -5.906 local terms energy: -713.310309 where: bonds (distance) C4'-P energy: -130.171 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -141.418 flat angles P-C4'-P energy: -86.930 tors. eta vs tors. theta energy: -199.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2369.399329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.399329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.399329 (E_RNA) where: Base-Base interactions energy: -1682.784 where: short stacking energy: -688.790 Base-Backbone interact. energy: 2.295 local terms energy: -688.910283 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -156.484 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -184.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2232.089401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.089401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.089401 (E_RNA) where: Base-Base interactions energy: -1566.375 where: short stacking energy: -680.427 Base-Backbone interact. energy: 0.612 local terms energy: -666.326648 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -123.936 flat angles C4'-P-C4' energy: -153.397 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -187.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2071.743043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.743043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.743043 (E_RNA) where: Base-Base interactions energy: -1443.630 where: short stacking energy: -613.418 Base-Backbone interact. energy: -0.431 local terms energy: -627.682007 where: bonds (distance) C4'-P energy: -110.642 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -145.181 flat angles P-C4'-P energy: -89.571 tors. eta vs tors. theta energy: -170.084 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: 264 Temperature: 1.150000 Total energy: -1950.058168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.058168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.058168 (E_RNA) where: Base-Base interactions energy: -1357.282 where: short stacking energy: -586.261 Base-Backbone interact. energy: -2.207 local terms energy: -590.568535 where: bonds (distance) C4'-P energy: -108.182 bonds (distance) P-C4' energy: -123.972 flat angles C4'-P-C4' energy: -139.255 flat angles P-C4'-P energy: -73.600 tors. eta vs tors. theta energy: -145.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1845.828986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.828986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.828986 (E_RNA) where: Base-Base interactions energy: -1273.641 where: short stacking energy: -549.244 Base-Backbone interact. energy: -1.896 local terms energy: -570.292149 where: bonds (distance) C4'-P energy: -109.862 bonds (distance) P-C4' energy: -123.428 flat angles C4'-P-C4' energy: -125.739 flat angles P-C4'-P energy: -82.933 tors. eta vs tors. theta energy: -128.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1722.261560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.261560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.261560 (E_RNA) where: Base-Base interactions energy: -1190.221 where: short stacking energy: -498.904 Base-Backbone interact. energy: 2.714 local terms energy: -534.754368 where: bonds (distance) C4'-P energy: -104.227 bonds (distance) P-C4' energy: -110.733 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -76.186 tors. eta vs tors. theta energy: -110.659 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: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1247.685252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.685252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.685252 (E_RNA) where: Base-Base interactions energy: -803.671 where: short stacking energy: -360.867 Base-Backbone interact. energy: -0.588 local terms energy: -443.426367 where: bonds (distance) C4'-P energy: -114.055 bonds (distance) P-C4' energy: -112.553 flat angles C4'-P-C4' energy: -102.329 flat angles P-C4'-P energy: -64.064 tors. eta vs tors. theta energy: -50.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -788.872442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.872442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.872442 (E_RNA) where: Base-Base interactions energy: -416.364 where: short stacking energy: -224.483 Base-Backbone interact. energy: -2.245 local terms energy: -370.263678 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -109.199 flat angles C4'-P-C4' energy: -96.878 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: 1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2501.728627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.728627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.728627 (E_RNA) where: Base-Base interactions energy: -1752.306 where: short stacking energy: -777.346 Base-Backbone interact. energy: -0.404 local terms energy: -749.018814 where: bonds (distance) C4'-P energy: -142.144 bonds (distance) P-C4' energy: -132.151 flat angles C4'-P-C4' energy: -157.409 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -217.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2421.998890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.998890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.998890 (E_RNA) where: Base-Base interactions energy: -1679.456 where: short stacking energy: -736.165 Base-Backbone interact. energy: -3.370 local terms energy: -739.172625 where: bonds (distance) C4'-P energy: -119.095 bonds (distance) P-C4' energy: -134.957 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -110.433 tors. eta vs tors. theta energy: -209.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2395.100492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.100492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.100492 (E_RNA) where: Base-Base interactions energy: -1684.625 where: short stacking energy: -695.812 Base-Backbone interact. energy: -2.340 local terms energy: -708.135888 where: bonds (distance) C4'-P energy: -137.600 bonds (distance) P-C4' energy: -129.931 flat angles C4'-P-C4' energy: -153.340 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -181.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2220.077934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.077934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.077934 (E_RNA) where: Base-Base interactions energy: -1546.476 where: short stacking energy: -662.234 Base-Backbone interact. energy: -1.347 local terms energy: -672.254400 where: bonds (distance) C4'-P energy: -131.740 bonds (distance) P-C4' energy: -128.990 flat angles C4'-P-C4' energy: -150.936 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -173.368 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: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2098.270122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.270122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.270122 (E_RNA) where: Base-Base interactions energy: -1442.066 where: short stacking energy: -641.419 Base-Backbone interact. energy: -2.816 local terms energy: -653.388089 where: bonds (distance) C4'-P energy: -115.868 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -154.801 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -165.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1969.119031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.119031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.119031 (E_RNA) where: Base-Base interactions energy: -1351.884 where: short stacking energy: -592.167 Base-Backbone interact. energy: -0.475 local terms energy: -616.759688 where: bonds (distance) C4'-P energy: -121.777 bonds (distance) P-C4' energy: -117.891 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -156.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1891.911202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.911202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.911202 (E_RNA) where: Base-Base interactions energy: -1308.433 where: short stacking energy: -572.745 Base-Backbone interact. energy: -0.111 local terms energy: -583.367255 where: bonds (distance) C4'-P energy: -110.848 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -132.694 flat angles P-C4'-P energy: -87.779 tors. eta vs tors. theta energy: -128.090 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: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1740.604676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.604676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.604676 (E_RNA) where: Base-Base interactions energy: -1171.500 where: short stacking energy: -522.670 Base-Backbone interact. energy: -1.247 local terms energy: -567.858414 where: bonds (distance) C4'-P energy: -113.514 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -133.210 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: -121.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1347.858268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.858268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.858268 (E_RNA) where: Base-Base interactions energy: -906.001 where: short stacking energy: -414.914 Base-Backbone interact. energy: -1.041 local terms energy: -440.816591 where: bonds (distance) C4'-P energy: -103.718 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -109.423 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -63.041 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: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -779.421315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.421315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.421315 (E_RNA) where: Base-Base interactions energy: -417.458 where: short stacking energy: -253.037 Base-Backbone interact. energy: 3.511 local terms energy: -365.474725 where: bonds (distance) C4'-P energy: -114.324 bonds (distance) P-C4' energy: -114.540 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -66.957 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2479.180014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.180014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.180014 (E_RNA) where: Base-Base interactions energy: -1714.367 where: short stacking energy: -758.353 Base-Backbone interact. energy: -0.724 local terms energy: -764.088904 where: bonds (distance) C4'-P energy: -139.997 bonds (distance) P-C4' energy: -136.234 flat angles C4'-P-C4' energy: -159.275 flat angles P-C4'-P energy: -113.936 tors. eta vs tors. theta energy: -214.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2422.233298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.233298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.233298 (E_RNA) where: Base-Base interactions energy: -1657.667 where: short stacking energy: -721.615 Base-Backbone interact. energy: -2.855 local terms energy: -761.711342 where: bonds (distance) C4'-P energy: -136.620 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -166.155 flat angles P-C4'-P energy: -108.538 tors. eta vs tors. theta energy: -217.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2402.075834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.075834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.075834 (E_RNA) where: Base-Base interactions energy: -1714.574 where: short stacking energy: -693.000 Base-Backbone interact. energy: 0.786 local terms energy: -688.286979 where: bonds (distance) C4'-P energy: -129.722 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -149.957 flat angles P-C4'-P energy: -96.949 tors. eta vs tors. theta energy: -180.580 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2210.782238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.782238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.782238 (E_RNA) where: Base-Base interactions energy: -1566.310 where: short stacking energy: -665.874 Base-Backbone interact. energy: -2.206 local terms energy: -642.266660 where: bonds (distance) C4'-P energy: -110.660 bonds (distance) P-C4' energy: -118.729 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -105.235 tors. eta vs tors. theta energy: -173.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2093.718929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.718929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.718929 (E_RNA) where: Base-Base interactions energy: -1475.519 where: short stacking energy: -619.766 Base-Backbone interact. energy: -0.785 local terms energy: -617.414860 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -124.522 flat angles C4'-P-C4' energy: -138.328 flat angles P-C4'-P energy: -80.877 tors. eta vs tors. theta energy: -160.658 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: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1935.593746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.593746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.593746 (E_RNA) where: Base-Base interactions energy: -1373.913 where: short stacking energy: -586.695 Base-Backbone interact. energy: -0.802 local terms energy: -560.878283 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -106.675 flat angles C4'-P-C4' energy: -123.587 flat angles P-C4'-P energy: -78.205 tors. eta vs tors. theta energy: -154.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1914.377089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.377089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.377089 (E_RNA) where: Base-Base interactions energy: -1332.877 where: short stacking energy: -574.384 Base-Backbone interact. energy: -0.139 local terms energy: -581.361526 where: bonds (distance) C4'-P energy: -114.787 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -115.011 flat angles P-C4'-P energy: -77.475 tors. eta vs tors. theta energy: -156.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1736.181797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.181797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.181797 (E_RNA) where: Base-Base interactions energy: -1194.519 where: short stacking energy: -515.452 Base-Backbone interact. energy: -2.528 local terms energy: -539.135570 where: bonds (distance) C4'-P energy: -113.527 bonds (distance) P-C4' energy: -107.555 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -88.820 tors. eta vs tors. theta energy: -108.979 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: 266 Temperature: 1.300000 Total energy: -1341.595145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.595145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.595145 (E_RNA) where: Base-Base interactions energy: -853.219 where: short stacking energy: -386.000 Base-Backbone interact. energy: -1.032 local terms energy: -487.344240 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -125.573 flat angles C4'-P-C4' energy: -121.302 flat angles P-C4'-P energy: -66.695 tors. eta vs tors. theta energy: -60.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -747.880398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.880398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.880398 (E_RNA) where: Base-Base interactions energy: -396.443 where: short stacking energy: -212.163 Base-Backbone interact. energy: 0.460 local terms energy: -351.897683 where: bonds (distance) C4'-P energy: -120.863 bonds (distance) P-C4' energy: -102.806 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2515.537987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.537987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.537987 (E_RNA) where: Base-Base interactions energy: -1739.405 where: short stacking energy: -785.320 Base-Backbone interact. energy: -0.216 local terms energy: -775.916556 where: bonds (distance) C4'-P energy: -134.229 bonds (distance) P-C4' energy: -148.043 flat angles C4'-P-C4' energy: -163.523 flat angles P-C4'-P energy: -108.918 tors. eta vs tors. theta energy: -221.204 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: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2417.634611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.634611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.634611 (E_RNA) where: Base-Base interactions energy: -1691.890 where: short stacking energy: -713.774 Base-Backbone interact. energy: -2.398 local terms energy: -723.346494 where: bonds (distance) C4'-P energy: -141.443 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -152.447 flat angles P-C4'-P energy: -102.081 tors. eta vs tors. theta energy: -209.996 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: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2370.590018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.590018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.590018 (E_RNA) where: Base-Base interactions energy: -1698.889 where: short stacking energy: -688.973 Base-Backbone interact. energy: -2.520 local terms energy: -669.180734 where: bonds (distance) C4'-P energy: -119.113 bonds (distance) P-C4' energy: -133.849 flat angles C4'-P-C4' energy: -154.959 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -170.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2198.771491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.771491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.771491 (E_RNA) where: Base-Base interactions energy: -1519.529 where: short stacking energy: -663.815 Base-Backbone interact. energy: -2.126 local terms energy: -677.115633 where: bonds (distance) C4'-P energy: -139.668 bonds (distance) P-C4' energy: -120.190 flat angles C4'-P-C4' energy: -156.605 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -181.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2107.999763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.999763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.999763 (E_RNA) where: Base-Base interactions energy: -1496.462 where: short stacking energy: -631.997 Base-Backbone interact. energy: 1.093 local terms energy: -612.631287 where: bonds (distance) C4'-P energy: -130.886 bonds (distance) P-C4' energy: -113.420 flat angles C4'-P-C4' energy: -143.371 flat angles P-C4'-P energy: -78.958 tors. eta vs tors. theta energy: -145.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1918.933409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.933409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.933409 (E_RNA) where: Base-Base interactions energy: -1338.491 where: short stacking energy: -581.869 Base-Backbone interact. energy: -2.216 local terms energy: -578.226441 where: bonds (distance) C4'-P energy: -108.802 bonds (distance) P-C4' energy: -115.571 flat angles C4'-P-C4' energy: -125.629 flat angles P-C4'-P energy: -77.391 tors. eta vs tors. theta energy: -150.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1914.239639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.239639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.239639 (E_RNA) where: Base-Base interactions energy: -1305.821 where: short stacking energy: -578.354 Base-Backbone interact. energy: -1.406 local terms energy: -607.011875 where: bonds (distance) C4'-P energy: -114.094 bonds (distance) P-C4' energy: -112.127 flat angles C4'-P-C4' energy: -137.090 flat angles P-C4'-P energy: -86.087 tors. eta vs tors. theta energy: -157.614 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: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1710.863670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.863670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.863670 (E_RNA) where: Base-Base interactions energy: -1196.835 where: short stacking energy: -507.014 Base-Backbone interact. energy: 6.275 local terms energy: -520.302992 where: bonds (distance) C4'-P energy: -108.653 bonds (distance) P-C4' energy: -116.915 flat angles C4'-P-C4' energy: -107.740 flat angles P-C4'-P energy: -58.544 tors. eta vs tors. theta energy: -128.451 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: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1383.452558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.452558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.452558 (E_RNA) where: Base-Base interactions energy: -894.452 where: short stacking energy: -422.508 Base-Backbone interact. energy: -1.933 local terms energy: -487.067715 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -130.799 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: -96.174 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: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -744.803761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.803761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.803761 (E_RNA) where: Base-Base interactions energy: -374.643 where: short stacking energy: -250.314 Base-Backbone interact. energy: 5.302 local terms energy: -375.462527 where: bonds (distance) C4'-P energy: -83.264 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -74.871 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2516.304108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.304108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.304108 (E_RNA) where: Base-Base interactions energy: -1749.697 where: short stacking energy: -769.259 Base-Backbone interact. energy: -1.276 local terms energy: -765.330973 where: bonds (distance) C4'-P energy: -142.840 bonds (distance) P-C4' energy: -137.033 flat angles C4'-P-C4' energy: -162.227 flat angles P-C4'-P energy: -108.976 tors. eta vs tors. theta energy: -214.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2418.805382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.805382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.805382 (E_RNA) where: Base-Base interactions energy: -1690.664 where: short stacking energy: -693.819 Base-Backbone interact. energy: -4.063 local terms energy: -724.077998 where: bonds (distance) C4'-P energy: -128.238 bonds (distance) P-C4' energy: -135.046 flat angles C4'-P-C4' energy: -149.716 flat angles P-C4'-P energy: -97.593 tors. eta vs tors. theta energy: -213.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2379.010005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.010005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.010005 (E_RNA) where: Base-Base interactions energy: -1680.115 where: short stacking energy: -668.813 Base-Backbone interact. energy: -1.472 local terms energy: -697.422575 where: bonds (distance) C4'-P energy: -128.886 bonds (distance) P-C4' energy: -137.532 flat angles C4'-P-C4' energy: -143.676 flat angles P-C4'-P energy: -107.844 tors. eta vs tors. theta energy: -179.483 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: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2195.343420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.343420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.343420 (E_RNA) where: Base-Base interactions energy: -1539.157 where: short stacking energy: -680.213 Base-Backbone interact. energy: -0.259 local terms energy: -655.927211 where: bonds (distance) C4'-P energy: -110.447 bonds (distance) P-C4' energy: -137.380 flat angles C4'-P-C4' energy: -145.492 flat angles P-C4'-P energy: -91.853 tors. eta vs tors. theta energy: -170.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2099.727479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.727479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.727479 (E_RNA) where: Base-Base interactions energy: -1491.029 where: short stacking energy: -604.833 Base-Backbone interact. energy: -3.264 local terms energy: -605.434694 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -121.097 flat angles C4'-P-C4' energy: -128.045 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: -151.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1920.876200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.876200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.876200 (E_RNA) where: Base-Base interactions energy: -1312.643 where: short stacking energy: -580.476 Base-Backbone interact. energy: -1.919 local terms energy: -606.313835 where: bonds (distance) C4'-P energy: -116.923 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -138.709 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -142.356 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: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1942.134662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.134662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.134662 (E_RNA) where: Base-Base interactions energy: -1345.403 where: short stacking energy: -611.956 Base-Backbone interact. energy: -0.293 local terms energy: -596.438378 where: bonds (distance) C4'-P energy: -103.486 bonds (distance) P-C4' energy: -111.446 flat angles C4'-P-C4' energy: -142.494 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -158.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1670.208874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.208874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.208874 (E_RNA) where: Base-Base interactions energy: -1150.244 where: short stacking energy: -495.440 Base-Backbone interact. energy: -3.619 local terms energy: -516.345208 where: bonds (distance) C4'-P energy: -105.381 bonds (distance) P-C4' energy: -112.905 flat angles C4'-P-C4' energy: -123.782 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -105.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1314.018792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.018792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.018792 (E_RNA) where: Base-Base interactions energy: -850.844 where: short stacking energy: -375.691 Base-Backbone interact. energy: 1.218 local terms energy: -464.392718 where: bonds (distance) C4'-P energy: -103.051 bonds (distance) P-C4' energy: -121.266 flat angles C4'-P-C4' energy: -113.224 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -70.466 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: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -792.058930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.058930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.058930 (E_RNA) where: Base-Base interactions energy: -413.993 where: short stacking energy: -248.873 Base-Backbone interact. energy: 3.411 local terms energy: -381.476597 where: bonds (distance) C4'-P energy: -99.621 bonds (distance) P-C4' energy: -110.675 flat angles C4'-P-C4' energy: -103.417 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -11.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2498.994946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.994946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.994946 (E_RNA) where: Base-Base interactions energy: -1745.090 where: short stacking energy: -755.287 Base-Backbone interact. energy: -2.118 local terms energy: -751.786777 where: bonds (distance) C4'-P energy: -129.030 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -105.582 tors. eta vs tors. theta energy: -217.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2499.598899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.598899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.598899 (E_RNA) where: Base-Base interactions energy: -1746.100 where: short stacking energy: -746.790 Base-Backbone interact. energy: -4.470 local terms energy: -749.028849 where: bonds (distance) C4'-P energy: -134.115 bonds (distance) P-C4' energy: -140.711 flat angles C4'-P-C4' energy: -151.640 flat angles P-C4'-P energy: -105.619 tors. eta vs tors. theta energy: -216.945 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: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2374.034379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.034379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.034379 (E_RNA) where: Base-Base interactions energy: -1697.331 where: short stacking energy: -695.314 Base-Backbone interact. energy: -4.638 local terms energy: -672.064478 where: bonds (distance) C4'-P energy: -124.215 bonds (distance) P-C4' energy: -122.987 flat angles C4'-P-C4' energy: -149.949 flat angles P-C4'-P energy: -90.139 tors. eta vs tors. theta energy: -184.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2251.790603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.790603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.790603 (E_RNA) where: Base-Base interactions energy: -1565.879 where: short stacking energy: -674.426 Base-Backbone interact. energy: 3.341 local terms energy: -689.252763 where: bonds (distance) C4'-P energy: -144.304 bonds (distance) P-C4' energy: -133.122 flat angles C4'-P-C4' energy: -141.475 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -188.980 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2111.428304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.428304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.428304 (E_RNA) where: Base-Base interactions energy: -1501.229 where: short stacking energy: -622.270 Base-Backbone interact. energy: 1.089 local terms energy: -611.288814 where: bonds (distance) C4'-P energy: -109.406 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -139.497 flat angles P-C4'-P energy: -76.148 tors. eta vs tors. theta energy: -152.488 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: 269 Temperature: 1.150000 Total energy: -1919.633594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.633594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.633594 (E_RNA) where: Base-Base interactions energy: -1300.323 where: short stacking energy: -586.459 Base-Backbone interact. energy: -3.013 local terms energy: -616.298002 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -124.577 flat angles C4'-P-C4' energy: -131.655 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -146.879 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: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1857.231536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.231536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.231536 (E_RNA) where: Base-Base interactions energy: -1251.624 where: short stacking energy: -545.095 Base-Backbone interact. energy: 3.184 local terms energy: -608.791728 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -115.836 flat angles C4'-P-C4' energy: -138.774 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -150.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1698.810416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.810416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.810416 (E_RNA) where: Base-Base interactions energy: -1160.398 where: short stacking energy: -496.700 Base-Backbone interact. energy: -2.685 local terms energy: -535.726584 where: bonds (distance) C4'-P energy: -117.105 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -115.031 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -94.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1316.878898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.878898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.878898 (E_RNA) where: Base-Base interactions energy: -880.654 where: short stacking energy: -399.330 Base-Backbone interact. energy: 2.471 local terms energy: -438.696162 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -96.979 flat angles P-C4'-P energy: -45.414 tors. eta vs tors. theta energy: -69.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -852.468865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.468865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.468865 (E_RNA) where: Base-Base interactions energy: -449.048 where: short stacking energy: -272.362 Base-Backbone interact. energy: -0.988 local terms energy: -402.433337 where: bonds (distance) C4'-P energy: -112.333 bonds (distance) P-C4' energy: -120.753 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -36.802 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: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2533.611787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.611787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.611787 (E_RNA) where: Base-Base interactions energy: -1761.814 where: short stacking energy: -787.891 Base-Backbone interact. energy: -1.577 local terms energy: -770.220950 where: bonds (distance) C4'-P energy: -137.156 bonds (distance) P-C4' energy: -127.213 flat angles C4'-P-C4' energy: -160.494 flat angles P-C4'-P energy: -116.857 tors. eta vs tors. theta energy: -228.501 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: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2426.805219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.805219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.805219 (E_RNA) where: Base-Base interactions energy: -1675.939 where: short stacking energy: -703.851 Base-Backbone interact. energy: -4.023 local terms energy: -746.843870 where: bonds (distance) C4'-P energy: -133.871 bonds (distance) P-C4' energy: -142.143 flat angles C4'-P-C4' energy: -154.745 flat angles P-C4'-P energy: -110.242 tors. eta vs tors. theta energy: -205.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2352.112123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.112123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.112123 (E_RNA) where: Base-Base interactions energy: -1677.333 where: short stacking energy: -692.667 Base-Backbone interact. energy: -1.654 local terms energy: -673.124323 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -127.125 flat angles C4'-P-C4' energy: -138.261 flat angles P-C4'-P energy: -89.550 tors. eta vs tors. theta energy: -189.767 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: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2230.430502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.430502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.430502 (E_RNA) where: Base-Base interactions energy: -1546.175 where: short stacking energy: -684.322 Base-Backbone interact. energy: -2.900 local terms energy: -681.355490 where: bonds (distance) C4'-P energy: -132.365 bonds (distance) P-C4' energy: -127.851 flat angles C4'-P-C4' energy: -163.473 flat angles P-C4'-P energy: -77.470 tors. eta vs tors. theta energy: -180.196 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: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2171.507921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.507921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.507921 (E_RNA) where: Base-Base interactions energy: -1528.867 where: short stacking energy: -629.422 Base-Backbone interact. energy: -1.101 local terms energy: -641.540625 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -129.653 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -95.246 tors. eta vs tors. theta energy: -163.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1919.204414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.204414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.204414 (E_RNA) where: Base-Base interactions energy: -1329.413 where: short stacking energy: -564.649 Base-Backbone interact. energy: -1.300 local terms energy: -588.491341 where: bonds (distance) C4'-P energy: -103.203 bonds (distance) P-C4' energy: -112.155 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -86.793 tors. eta vs tors. theta energy: -142.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1943.530983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.530983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.530983 (E_RNA) where: Base-Base interactions energy: -1325.875 where: short stacking energy: -571.238 Base-Backbone interact. energy: -3.753 local terms energy: -613.903165 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -131.396 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -80.684 tors. eta vs tors. theta energy: -158.778 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: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1795.703376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.703376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.703376 (E_RNA) where: Base-Base interactions energy: -1223.504 where: short stacking energy: -538.908 Base-Backbone interact. energy: 0.924 local terms energy: -573.123309 where: bonds (distance) C4'-P energy: -118.961 bonds (distance) P-C4' energy: -123.473 flat angles C4'-P-C4' energy: -121.541 flat angles P-C4'-P energy: -78.818 tors. eta vs tors. theta energy: -130.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1385.179809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.179809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.179809 (E_RNA) where: Base-Base interactions energy: -901.067 where: short stacking energy: -408.737 Base-Backbone interact. energy: -2.265 local terms energy: -481.847359 where: bonds (distance) C4'-P energy: -105.097 bonds (distance) P-C4' energy: -124.265 flat angles C4'-P-C4' energy: -98.820 flat angles P-C4'-P energy: -74.933 tors. eta vs tors. theta energy: -78.733 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -863.181414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.181414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.181414 (E_RNA) where: Base-Base interactions energy: -478.249 where: short stacking energy: -267.089 Base-Backbone interact. energy: -2.306 local terms energy: -382.626045 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -107.826 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -59.015 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: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2531.038295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.038295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.038295 (E_RNA) where: Base-Base interactions energy: -1763.140 where: short stacking energy: -786.405 Base-Backbone interact. energy: -3.504 local terms energy: -764.394201 where: bonds (distance) C4'-P energy: -131.537 bonds (distance) P-C4' energy: -135.567 flat angles C4'-P-C4' energy: -154.622 flat angles P-C4'-P energy: -122.122 tors. eta vs tors. theta energy: -220.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2396.090694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.090694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.090694 (E_RNA) where: Base-Base interactions energy: -1671.093 where: short stacking energy: -706.755 Base-Backbone interact. energy: -3.589 local terms energy: -721.408563 where: bonds (distance) C4'-P energy: -137.860 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -152.603 flat angles P-C4'-P energy: -91.192 tors. eta vs tors. theta energy: -200.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2377.538683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.538683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.538683 (E_RNA) where: Base-Base interactions energy: -1709.607 where: short stacking energy: -701.257 Base-Backbone interact. energy: 0.742 local terms energy: -668.672922 where: bonds (distance) C4'-P energy: -112.999 bonds (distance) P-C4' energy: -134.155 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -93.005 tors. eta vs tors. theta energy: -183.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2205.340322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.340322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.340322 (E_RNA) where: Base-Base interactions energy: -1550.204 where: short stacking energy: -633.549 Base-Backbone interact. energy: -2.116 local terms energy: -653.019585 where: bonds (distance) C4'-P energy: -107.752 bonds (distance) P-C4' energy: -141.977 flat angles C4'-P-C4' energy: -150.235 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -172.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2170.341517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.341517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.341517 (E_RNA) where: Base-Base interactions energy: -1524.628 where: short stacking energy: -672.440 Base-Backbone interact. energy: -0.688 local terms energy: -645.025537 where: bonds (distance) C4'-P energy: -105.908 bonds (distance) P-C4' energy: -117.934 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -191.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1979.524308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.524308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.524308 (E_RNA) where: Base-Base interactions energy: -1351.057 where: short stacking energy: -598.025 Base-Backbone interact. energy: -1.355 local terms energy: -627.112317 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -77.550 tors. eta vs tors. theta energy: -161.356 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: 271 Temperature: 1.200000 Total energy: -1889.014551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.014551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.014551 (E_RNA) where: Base-Base interactions energy: -1287.597 where: short stacking energy: -571.064 Base-Backbone interact. energy: -3.522 local terms energy: -597.894772 where: bonds (distance) C4'-P energy: -113.227 bonds (distance) P-C4' energy: -132.148 flat angles C4'-P-C4' energy: -124.033 flat angles P-C4'-P energy: -84.986 tors. eta vs tors. theta energy: -143.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1785.781744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.781744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.781744 (E_RNA) where: Base-Base interactions energy: -1200.005 where: short stacking energy: -511.003 Base-Backbone interact. energy: -2.792 local terms energy: -582.985524 where: bonds (distance) C4'-P energy: -110.344 bonds (distance) P-C4' energy: -126.257 flat angles C4'-P-C4' energy: -132.929 flat angles P-C4'-P energy: -82.703 tors. eta vs tors. theta energy: -130.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1337.778874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.778874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.778874 (E_RNA) where: Base-Base interactions energy: -874.757 where: short stacking energy: -410.595 Base-Backbone interact. energy: 1.229 local terms energy: -464.251115 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -117.225 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -72.102 tors. eta vs tors. theta energy: -80.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -827.886980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.886980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.886980 (E_RNA) where: Base-Base interactions energy: -461.245 where: short stacking energy: -260.391 Base-Backbone interact. energy: 6.231 local terms energy: -372.872676 where: bonds (distance) C4'-P energy: -96.416 bonds (distance) P-C4' energy: -122.158 flat angles C4'-P-C4' energy: -91.004 flat angles P-C4'-P energy: -50.692 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: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2499.471486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.471486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.471486 (E_RNA) where: Base-Base interactions energy: -1753.372 where: short stacking energy: -742.450 Base-Backbone interact. energy: -0.873 local terms energy: -745.226057 where: bonds (distance) C4'-P energy: -137.617 bonds (distance) P-C4' energy: -136.351 flat angles C4'-P-C4' energy: -152.031 flat angles P-C4'-P energy: -107.252 tors. eta vs tors. theta energy: -211.975 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: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2416.464093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.464093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.464093 (E_RNA) where: Base-Base interactions energy: -1692.595 where: short stacking energy: -721.609 Base-Backbone interact. energy: -4.967 local terms energy: -718.902370 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -97.255 tors. eta vs tors. theta energy: -190.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2405.161084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.161084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.161084 (E_RNA) where: Base-Base interactions energy: -1703.837 where: short stacking energy: -699.253 Base-Backbone interact. energy: 2.271 local terms energy: -703.594710 where: bonds (distance) C4'-P energy: -128.745 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -148.061 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -182.072 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: 272 Temperature: 1.050000 Total energy: -2189.786203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.786203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.786203 (E_RNA) where: Base-Base interactions energy: -1535.050 where: short stacking energy: -654.448 Base-Backbone interact. energy: -2.169 local terms energy: -652.567651 where: bonds (distance) C4'-P energy: -117.764 bonds (distance) P-C4' energy: -122.120 flat angles C4'-P-C4' energy: -149.279 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -169.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2136.974675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.974675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.974675 (E_RNA) where: Base-Base interactions energy: -1510.849 where: short stacking energy: -655.506 Base-Backbone interact. energy: 0.617 local terms energy: -626.742300 where: bonds (distance) C4'-P energy: -113.798 bonds (distance) P-C4' energy: -109.435 flat angles C4'-P-C4' energy: -149.079 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -162.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1981.065471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.065471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.065471 (E_RNA) where: Base-Base interactions energy: -1370.621 where: short stacking energy: -604.680 Base-Backbone interact. energy: -1.818 local terms energy: -608.626849 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -119.321 flat angles C4'-P-C4' energy: -136.620 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -162.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1902.583520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.583520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.583520 (E_RNA) where: Base-Base interactions energy: -1313.768 where: short stacking energy: -566.848 Base-Backbone interact. energy: -4.837 local terms energy: -583.978595 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -105.698 flat angles C4'-P-C4' energy: -142.880 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -140.790 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: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1731.780025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.780025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.780025 (E_RNA) where: Base-Base interactions energy: -1179.443 where: short stacking energy: -489.599 Base-Backbone interact. energy: -1.674 local terms energy: -550.662908 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -120.313 flat angles C4'-P-C4' energy: -121.078 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -127.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1335.346832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.346832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.346832 (E_RNA) where: Base-Base interactions energy: -843.601 where: short stacking energy: -400.058 Base-Backbone interact. energy: -4.169 local terms energy: -487.576937 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -108.211 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -74.015 tors. eta vs tors. theta energy: -78.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -871.242133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.242133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.242133 (E_RNA) where: Base-Base interactions energy: -490.372 where: short stacking energy: -246.225 Base-Backbone interact. energy: 8.460 local terms energy: -389.329415 where: bonds (distance) C4'-P energy: -107.530 bonds (distance) P-C4' energy: -114.014 flat angles C4'-P-C4' energy: -90.762 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2522.067224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.067224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.067224 (E_RNA) where: Base-Base interactions energy: -1790.617 where: short stacking energy: -770.637 Base-Backbone interact. energy: -2.044 local terms energy: -729.406109 where: bonds (distance) C4'-P energy: -136.667 bonds (distance) P-C4' energy: -127.679 flat angles C4'-P-C4' energy: -146.900 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -216.384 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: 273 Temperature: 0.950000 Total energy: -2451.063430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.063430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.063430 (E_RNA) where: Base-Base interactions energy: -1752.159 where: short stacking energy: -735.073 Base-Backbone interact. energy: 2.656 local terms energy: -702.120811 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -130.232 flat angles C4'-P-C4' energy: -153.741 flat angles P-C4'-P energy: -103.777 tors. eta vs tors. theta energy: -181.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.561 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2383.550674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.550674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.550674 (E_RNA) where: Base-Base interactions energy: -1675.676 where: short stacking energy: -717.907 Base-Backbone interact. energy: -3.566 local terms energy: -704.308739 where: bonds (distance) C4'-P energy: -136.969 bonds (distance) P-C4' energy: -111.184 flat angles C4'-P-C4' energy: -161.556 flat angles P-C4'-P energy: -92.683 tors. eta vs tors. theta energy: -201.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2192.220614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.220614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.220614 (E_RNA) where: Base-Base interactions energy: -1546.682 where: short stacking energy: -623.285 Base-Backbone interact. energy: -3.187 local terms energy: -642.351335 where: bonds (distance) C4'-P energy: -114.795 bonds (distance) P-C4' energy: -126.149 flat angles C4'-P-C4' energy: -140.969 flat angles P-C4'-P energy: -104.051 tors. eta vs tors. theta energy: -156.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2167.472574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.472574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.472574 (E_RNA) where: Base-Base interactions energy: -1541.312 where: short stacking energy: -666.338 Base-Backbone interact. energy: -0.801 local terms energy: -625.359577 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -139.118 flat angles P-C4'-P energy: -95.486 tors. eta vs tors. theta energy: -171.894 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: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1994.936672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.936672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.936672 (E_RNA) where: Base-Base interactions energy: -1384.703 where: short stacking energy: -600.383 Base-Backbone interact. energy: 4.172 local terms energy: -614.405589 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -122.108 flat angles C4'-P-C4' energy: -137.177 flat angles P-C4'-P energy: -88.114 tors. eta vs tors. theta energy: -153.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1900.753392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.753392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.753392 (E_RNA) where: Base-Base interactions energy: -1314.822 where: short stacking energy: -566.540 Base-Backbone interact. energy: -2.957 local terms energy: -582.973917 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -126.889 flat angles C4'-P-C4' energy: -140.291 flat angles P-C4'-P energy: -77.900 tors. eta vs tors. theta energy: -140.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1697.785371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.785371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.785371 (E_RNA) where: Base-Base interactions energy: -1163.289 where: short stacking energy: -510.541 Base-Backbone interact. energy: 0.585 local terms energy: -535.081249 where: bonds (distance) C4'-P energy: -107.291 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -112.853 flat angles P-C4'-P energy: -78.399 tors. eta vs tors. theta energy: -122.641 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1334.315073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.315073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.315073 (E_RNA) where: Base-Base interactions energy: -889.356 where: short stacking energy: -393.709 Base-Backbone interact. energy: 2.891 local terms energy: -447.849265 where: bonds (distance) C4'-P energy: -88.076 bonds (distance) P-C4' energy: -111.249 flat angles C4'-P-C4' energy: -110.474 flat angles P-C4'-P energy: -78.953 tors. eta vs tors. theta energy: -59.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -840.910239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.910239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.910239 (E_RNA) where: Base-Base interactions energy: -465.124 where: short stacking energy: -212.277 Base-Backbone interact. energy: -2.509 local terms energy: -373.277400 where: bonds (distance) C4'-P energy: -126.468 bonds (distance) P-C4' energy: -86.023 flat angles C4'-P-C4' energy: -113.734 flat angles P-C4'-P energy: -48.141 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: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2515.926025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.926025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.926025 (E_RNA) where: Base-Base interactions energy: -1759.457 where: short stacking energy: -780.877 Base-Backbone interact. energy: -1.098 local terms energy: -755.370360 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -146.678 flat angles P-C4'-P energy: -112.496 tors. eta vs tors. theta energy: -223.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2508.692056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.692056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.692056 (E_RNA) where: Base-Base interactions energy: -1771.612 where: short stacking energy: -714.372 Base-Backbone interact. energy: -0.036 local terms energy: -737.043774 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -140.194 flat angles C4'-P-C4' energy: -159.603 flat angles P-C4'-P energy: -111.767 tors. eta vs tors. theta energy: -185.850 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: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2352.627895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.627895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.627895 (E_RNA) where: Base-Base interactions energy: -1661.279 where: short stacking energy: -697.035 Base-Backbone interact. energy: -5.569 local terms energy: -685.779808 where: bonds (distance) C4'-P energy: -116.968 bonds (distance) P-C4' energy: -140.964 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -186.759 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: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2175.946296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.946296 (E_RNA) where: Base-Base interactions energy: -1507.230 where: short stacking energy: -633.944 Base-Backbone interact. energy: -3.610 local terms energy: -665.106625 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -132.319 flat angles C4'-P-C4' energy: -142.321 flat angles P-C4'-P energy: -86.178 tors. eta vs tors. theta energy: -178.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2205.402782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.402782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.402782 (E_RNA) where: Base-Base interactions energy: -1532.911 where: short stacking energy: -656.745 Base-Backbone interact. energy: -3.547 local terms energy: -668.945554 where: bonds (distance) C4'-P energy: -104.595 bonds (distance) P-C4' energy: -135.411 flat angles C4'-P-C4' energy: -142.423 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -190.955 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: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2001.494660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.494660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.494660 (E_RNA) where: Base-Base interactions energy: -1370.420 where: short stacking energy: -594.755 Base-Backbone interact. energy: -2.344 local terms energy: -628.730669 where: bonds (distance) C4'-P energy: -99.128 bonds (distance) P-C4' energy: -127.818 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -104.197 tors. eta vs tors. theta energy: -164.371 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1869.582394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.582394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.582394 (E_RNA) where: Base-Base interactions energy: -1303.754 where: short stacking energy: -547.349 Base-Backbone interact. energy: 1.102 local terms energy: -566.930393 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -138.205 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -131.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1708.402865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.402865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.402865 (E_RNA) where: Base-Base interactions energy: -1166.996 where: short stacking energy: -519.118 Base-Backbone interact. energy: 1.238 local terms energy: -542.644765 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -114.602 flat angles C4'-P-C4' energy: -134.827 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: -132.022 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: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1321.917754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.917754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.917754 (E_RNA) where: Base-Base interactions energy: -851.817 where: short stacking energy: -395.209 Base-Backbone interact. energy: -1.714 local terms energy: -468.387070 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -119.511 flat angles C4'-P-C4' energy: -115.187 flat angles P-C4'-P energy: -71.728 tors. eta vs tors. theta energy: -67.831 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: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -847.312093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.312093 (E_RNA) where: Base-Base interactions energy: -458.263 where: short stacking energy: -219.407 Base-Backbone interact. energy: 0.922 local terms energy: -389.970202 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -137.514 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2535.967761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.967761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.967761 (E_RNA) where: Base-Base interactions energy: -1758.206 where: short stacking energy: -767.819 Base-Backbone interact. energy: -3.726 local terms energy: -774.035709 where: bonds (distance) C4'-P energy: -133.720 bonds (distance) P-C4' energy: -146.215 flat angles C4'-P-C4' energy: -166.497 flat angles P-C4'-P energy: -105.213 tors. eta vs tors. theta energy: -222.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2487.091955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.091955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.091955 (E_RNA) where: Base-Base interactions energy: -1762.760 where: short stacking energy: -729.362 Base-Backbone interact. energy: -3.224 local terms energy: -721.107489 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -136.228 flat angles C4'-P-C4' energy: -151.719 flat angles P-C4'-P energy: -112.293 tors. eta vs tors. theta energy: -190.125 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: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2351.524020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.524020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.524020 (E_RNA) where: Base-Base interactions energy: -1628.049 where: short stacking energy: -696.960 Base-Backbone interact. energy: -5.238 local terms energy: -718.237801 where: bonds (distance) C4'-P energy: -138.919 bonds (distance) P-C4' energy: -120.772 flat angles C4'-P-C4' energy: -152.418 flat angles P-C4'-P energy: -98.880 tors. eta vs tors. theta energy: -207.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2248.674212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.674212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.674212 (E_RNA) where: Base-Base interactions energy: -1566.469 where: short stacking energy: -687.650 Base-Backbone interact. energy: 0.708 local terms energy: -682.913715 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -122.741 flat angles C4'-P-C4' energy: -145.532 flat angles P-C4'-P energy: -91.254 tors. eta vs tors. theta energy: -193.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2101.194236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.194236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.194236 (E_RNA) where: Base-Base interactions energy: -1455.236 where: short stacking energy: -594.249 Base-Backbone interact. energy: 0.093 local terms energy: -646.051098 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -88.542 tors. eta vs tors. theta energy: -158.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1997.912137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.912137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.912137 (E_RNA) where: Base-Base interactions energy: -1356.621 where: short stacking energy: -591.829 Base-Backbone interact. energy: -1.869 local terms energy: -639.421750 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -132.398 flat angles C4'-P-C4' energy: -139.747 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -152.896 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: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1828.712044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.712044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.712044 (E_RNA) where: Base-Base interactions energy: -1240.322 where: short stacking energy: -515.358 Base-Backbone interact. energy: -0.830 local terms energy: -587.559753 where: bonds (distance) C4'-P energy: -130.246 bonds (distance) P-C4' energy: -125.799 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -119.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1759.197344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.197344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.197344 (E_RNA) where: Base-Base interactions energy: -1232.341 where: short stacking energy: -511.955 Base-Backbone interact. energy: -3.570 local terms energy: -523.285568 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -130.174 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -123.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1336.738841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.738841 (E_RNA) where: Base-Base interactions energy: -888.433 where: short stacking energy: -391.893 Base-Backbone interact. energy: 2.686 local terms energy: -450.991917 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -104.796 flat angles P-C4'-P energy: -82.722 tors. eta vs tors. theta energy: -57.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -816.756964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.756964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.756964 (E_RNA) where: Base-Base interactions energy: -462.964 where: short stacking energy: -225.583 Base-Backbone interact. energy: 1.093 local terms energy: -354.885783 where: bonds (distance) C4'-P energy: -100.286 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -32.558 tors. eta vs tors. theta energy: -14.831 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: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2509.055350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.055350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.055350 (E_RNA) where: Base-Base interactions energy: -1734.669 where: short stacking energy: -764.516 Base-Backbone interact. energy: -1.386 local terms energy: -772.999673 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -147.342 flat angles C4'-P-C4' energy: -147.585 flat angles P-C4'-P energy: -116.854 tors. eta vs tors. theta energy: -213.379 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: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2486.635452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.635452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.635452 (E_RNA) where: Base-Base interactions energy: -1766.472 where: short stacking energy: -710.804 Base-Backbone interact. energy: -1.430 local terms energy: -718.733037 where: bonds (distance) C4'-P energy: -136.324 bonds (distance) P-C4' energy: -127.263 flat angles C4'-P-C4' energy: -153.656 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -192.721 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: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2395.800681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.800681 (E_RNA) where: Base-Base interactions energy: -1676.626 where: short stacking energy: -731.259 Base-Backbone interact. energy: -0.906 local terms energy: -718.269087 where: bonds (distance) C4'-P energy: -108.702 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -147.161 flat angles P-C4'-P energy: -95.994 tors. eta vs tors. theta energy: -215.377 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: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2281.024445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.024445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.024445 (E_RNA) where: Base-Base interactions energy: -1600.660 where: short stacking energy: -684.637 Base-Backbone interact. energy: -4.057 local terms energy: -676.306884 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -156.305 flat angles P-C4'-P energy: -94.220 tors. eta vs tors. theta energy: -181.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2160.489070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.489070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.489070 (E_RNA) where: Base-Base interactions energy: -1541.229 where: short stacking energy: -644.923 Base-Backbone interact. energy: 1.981 local terms energy: -621.241279 where: bonds (distance) C4'-P energy: -106.001 bonds (distance) P-C4' energy: -124.115 flat angles C4'-P-C4' energy: -131.509 flat angles P-C4'-P energy: -95.457 tors. eta vs tors. theta energy: -164.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1992.700021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.700021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.700021 (E_RNA) where: Base-Base interactions energy: -1373.827 where: short stacking energy: -574.086 Base-Backbone interact. energy: -2.774 local terms energy: -616.098737 where: bonds (distance) C4'-P energy: -118.597 bonds (distance) P-C4' energy: -135.665 flat angles C4'-P-C4' energy: -133.464 flat angles P-C4'-P energy: -78.780 tors. eta vs tors. theta energy: -149.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1760.338366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.338366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.338366 (E_RNA) where: Base-Base interactions energy: -1221.582 where: short stacking energy: -533.274 Base-Backbone interact. energy: -1.617 local terms energy: -537.140176 where: bonds (distance) C4'-P energy: -117.133 bonds (distance) P-C4' energy: -106.572 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -121.659 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: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1719.351157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.351157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.351157 (E_RNA) where: Base-Base interactions energy: -1201.989 where: short stacking energy: -510.998 Base-Backbone interact. energy: 3.710 local terms energy: -521.072363 where: bonds (distance) C4'-P energy: -96.033 bonds (distance) P-C4' energy: -107.295 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -74.703 tors. eta vs tors. theta energy: -102.818 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: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1396.506246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.506246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.506246 (E_RNA) where: Base-Base interactions energy: -917.534 where: short stacking energy: -415.226 Base-Backbone interact. energy: 1.448 local terms energy: -480.419631 where: bonds (distance) C4'-P energy: -123.389 bonds (distance) P-C4' energy: -118.256 flat angles C4'-P-C4' energy: -103.641 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -77.999 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: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -795.911665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.911665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.911665 (E_RNA) where: Base-Base interactions energy: -417.890 where: short stacking energy: -235.287 Base-Backbone interact. energy: 2.149 local terms energy: -380.170369 where: bonds (distance) C4'-P energy: -111.592 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -58.753 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: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2516.691064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.691064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.691064 (E_RNA) where: Base-Base interactions energy: -1762.534 where: short stacking energy: -795.856 Base-Backbone interact. energy: -2.198 local terms energy: -751.959112 where: bonds (distance) C4'-P energy: -128.215 bonds (distance) P-C4' energy: -128.424 flat angles C4'-P-C4' energy: -157.569 flat angles P-C4'-P energy: -117.330 tors. eta vs tors. theta energy: -220.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2443.786903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.786903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.786903 (E_RNA) where: Base-Base interactions energy: -1724.313 where: short stacking energy: -711.767 Base-Backbone interact. energy: -0.314 local terms energy: -719.159804 where: bonds (distance) C4'-P energy: -123.703 bonds (distance) P-C4' energy: -140.859 flat angles C4'-P-C4' energy: -157.420 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -194.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2371.468405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.468405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.468405 (E_RNA) where: Base-Base interactions energy: -1676.743 where: short stacking energy: -687.238 Base-Backbone interact. energy: -2.890 local terms energy: -691.835476 where: bonds (distance) C4'-P energy: -138.967 bonds (distance) P-C4' energy: -137.407 flat angles C4'-P-C4' energy: -139.359 flat angles P-C4'-P energy: -87.835 tors. eta vs tors. theta energy: -188.267 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: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2257.495080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.495080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.495080 (E_RNA) where: Base-Base interactions energy: -1588.417 where: short stacking energy: -688.773 Base-Backbone interact. energy: -1.098 local terms energy: -667.980264 where: bonds (distance) C4'-P energy: -127.437 bonds (distance) P-C4' energy: -129.915 flat angles C4'-P-C4' energy: -134.723 flat angles P-C4'-P energy: -83.021 tors. eta vs tors. theta energy: -192.884 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: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2131.817500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.817500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.817500 (E_RNA) where: Base-Base interactions energy: -1475.643 where: short stacking energy: -613.691 Base-Backbone interact. energy: -7.152 local terms energy: -649.022770 where: bonds (distance) C4'-P energy: -131.482 bonds (distance) P-C4' energy: -133.199 flat angles C4'-P-C4' energy: -140.057 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -166.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1965.867333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.867333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.867333 (E_RNA) where: Base-Base interactions energy: -1381.171 where: short stacking energy: -609.076 Base-Backbone interact. energy: 0.027 local terms energy: -584.723178 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -142.710 flat angles P-C4'-P energy: -79.692 tors. eta vs tors. theta energy: -138.689 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: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1845.659942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.659942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.659942 (E_RNA) where: Base-Base interactions energy: -1264.737 where: short stacking energy: -569.052 Base-Backbone interact. energy: 1.817 local terms energy: -582.740295 where: bonds (distance) C4'-P energy: -113.079 bonds (distance) P-C4' energy: -129.874 flat angles C4'-P-C4' energy: -127.293 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: -140.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1655.299073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.299073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.299073 (E_RNA) where: Base-Base interactions energy: -1132.674 where: short stacking energy: -475.747 Base-Backbone interact. energy: -2.083 local terms energy: -520.542073 where: bonds (distance) C4'-P energy: -124.719 bonds (distance) P-C4' energy: -98.874 flat angles C4'-P-C4' energy: -110.383 flat angles P-C4'-P energy: -79.723 tors. eta vs tors. theta energy: -106.844 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: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1405.517766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.517766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.517766 (E_RNA) where: Base-Base interactions energy: -926.473 where: short stacking energy: -412.303 Base-Backbone interact. energy: 2.244 local terms energy: -481.288059 where: bonds (distance) C4'-P energy: -106.645 bonds (distance) P-C4' energy: -115.589 flat angles C4'-P-C4' energy: -113.212 flat angles P-C4'-P energy: -79.673 tors. eta vs tors. theta energy: -66.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -797.489688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.489688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.489688 (E_RNA) where: Base-Base interactions energy: -436.901 where: short stacking energy: -224.891 Base-Backbone interact. energy: 0.646 local terms energy: -361.234799 where: bonds (distance) C4'-P energy: -110.772 bonds (distance) P-C4' energy: -101.721 flat angles C4'-P-C4' energy: -100.386 flat angles P-C4'-P energy: -49.823 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2508.513584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.513584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.513584 (E_RNA) where: Base-Base interactions energy: -1774.083 where: short stacking energy: -792.605 Base-Backbone interact. energy: 0.761 local terms energy: -735.191418 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -140.794 flat angles C4'-P-C4' energy: -155.746 flat angles P-C4'-P energy: -93.194 tors. eta vs tors. theta energy: -219.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2494.698316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.698316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.698316 (E_RNA) where: Base-Base interactions energy: -1804.121 where: short stacking energy: -723.927 Base-Backbone interact. energy: 2.377 local terms energy: -692.954238 where: bonds (distance) C4'-P energy: -125.301 bonds (distance) P-C4' energy: -122.873 flat angles C4'-P-C4' energy: -152.493 flat angles P-C4'-P energy: -108.460 tors. eta vs tors. theta energy: -183.827 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: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2338.907921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.907921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.907921 (E_RNA) where: Base-Base interactions energy: -1613.608 where: short stacking energy: -705.639 Base-Backbone interact. energy: -3.722 local terms energy: -721.577688 where: bonds (distance) C4'-P energy: -122.629 bonds (distance) P-C4' energy: -146.500 flat angles C4'-P-C4' energy: -147.668 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -193.489 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: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2291.080612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.080612 (E_RNA) where: Base-Base interactions energy: -1615.654 where: short stacking energy: -687.903 Base-Backbone interact. energy: -2.263 local terms energy: -673.163687 where: bonds (distance) C4'-P energy: -137.377 bonds (distance) P-C4' energy: -132.599 flat angles C4'-P-C4' energy: -139.510 flat angles P-C4'-P energy: -76.344 tors. eta vs tors. theta energy: -187.333 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: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2047.380816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.380816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.380816 (E_RNA) where: Base-Base interactions energy: -1452.870 where: short stacking energy: -631.926 Base-Backbone interact. energy: -2.527 local terms energy: -591.984316 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -114.124 flat angles C4'-P-C4' energy: -123.069 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -150.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2079.091901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.091901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.091901 (E_RNA) where: Base-Base interactions energy: -1463.674 where: short stacking energy: -615.428 Base-Backbone interact. energy: 6.565 local terms energy: -621.983268 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -130.170 flat angles C4'-P-C4' energy: -129.469 flat angles P-C4'-P energy: -92.556 tors. eta vs tors. theta energy: -158.832 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: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1696.683555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.683555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.683555 (E_RNA) where: Base-Base interactions energy: -1175.458 where: short stacking energy: -509.499 Base-Backbone interact. energy: -2.145 local terms energy: -519.080143 where: bonds (distance) C4'-P energy: -101.151 bonds (distance) P-C4' energy: -95.333 flat angles C4'-P-C4' energy: -117.572 flat angles P-C4'-P energy: -99.654 tors. eta vs tors. theta energy: -105.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1696.069590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.069590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.069590 (E_RNA) where: Base-Base interactions energy: -1154.302 where: short stacking energy: -520.627 Base-Backbone interact. energy: 1.646 local terms energy: -543.414192 where: bonds (distance) C4'-P energy: -101.223 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -121.588 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -120.897 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1430.198339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.198339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.198339 (E_RNA) where: Base-Base interactions energy: -937.891 where: short stacking energy: -411.714 Base-Backbone interact. energy: -3.544 local terms energy: -488.763038 where: bonds (distance) C4'-P energy: -122.262 bonds (distance) P-C4' energy: -121.081 flat angles C4'-P-C4' energy: -109.283 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -79.548 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: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -808.205491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.205491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.205491 (E_RNA) where: Base-Base interactions energy: -467.339 where: short stacking energy: -268.666 Base-Backbone interact. energy: 5.254 local terms energy: -346.120306 where: bonds (distance) C4'-P energy: -79.764 bonds (distance) P-C4' energy: -109.793 flat angles C4'-P-C4' energy: -97.210 flat angles P-C4'-P energy: -60.418 tors. eta vs tors. theta energy: 1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2521.727348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.727348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.727348 (E_RNA) where: Base-Base interactions energy: -1755.716 where: short stacking energy: -802.082 Base-Backbone interact. energy: -1.581 local terms energy: -764.429844 where: bonds (distance) C4'-P energy: -132.074 bonds (distance) P-C4' energy: -152.603 flat angles C4'-P-C4' energy: -167.086 flat angles P-C4'-P energy: -100.117 tors. eta vs tors. theta energy: -212.550 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: 2, replica: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2455.286871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.286871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.286871 (E_RNA) where: Base-Base interactions energy: -1751.107 where: short stacking energy: -686.055 Base-Backbone interact. energy: -3.307 local terms energy: -700.872736 where: bonds (distance) C4'-P energy: -140.887 bonds (distance) P-C4' energy: -137.354 flat angles C4'-P-C4' energy: -152.465 flat angles P-C4'-P energy: -95.485 tors. eta vs tors. theta energy: -174.681 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: 279 Temperature: 1.000000 Total energy: -2331.684955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.684955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.684955 (E_RNA) where: Base-Base interactions energy: -1627.960 where: short stacking energy: -726.409 Base-Backbone interact. energy: -2.659 local terms energy: -701.065802 where: bonds (distance) C4'-P energy: -114.696 bonds (distance) P-C4' energy: -135.997 flat angles C4'-P-C4' energy: -149.900 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -204.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2277.166304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.166304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.166304 (E_RNA) where: Base-Base interactions energy: -1602.684 where: short stacking energy: -681.924 Base-Backbone interact. energy: -3.147 local terms energy: -671.335317 where: bonds (distance) C4'-P energy: -129.826 bonds (distance) P-C4' energy: -134.579 flat angles C4'-P-C4' energy: -139.557 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -193.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2046.825003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.825003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.825003 (E_RNA) where: Base-Base interactions energy: -1442.693 where: short stacking energy: -615.801 Base-Backbone interact. energy: -0.237 local terms energy: -603.895528 where: bonds (distance) C4'-P energy: -112.028 bonds (distance) P-C4' energy: -126.313 flat angles C4'-P-C4' energy: -121.062 flat angles P-C4'-P energy: -75.406 tors. eta vs tors. theta energy: -169.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2041.521491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.521491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.521491 (E_RNA) where: Base-Base interactions energy: -1397.971 where: short stacking energy: -615.660 Base-Backbone interact. energy: -4.484 local terms energy: -639.066579 where: bonds (distance) C4'-P energy: -98.267 bonds (distance) P-C4' energy: -130.793 flat angles C4'-P-C4' energy: -144.677 flat angles P-C4'-P energy: -87.883 tors. eta vs tors. theta energy: -177.447 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: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1764.369627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.369627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.369627 (E_RNA) where: Base-Base interactions energy: -1212.245 where: short stacking energy: -530.229 Base-Backbone interact. energy: -6.023 local terms energy: -546.101586 where: bonds (distance) C4'-P energy: -104.640 bonds (distance) P-C4' energy: -108.792 flat angles C4'-P-C4' energy: -126.924 flat angles P-C4'-P energy: -74.420 tors. eta vs tors. theta energy: -131.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1699.385732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.385732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.385732 (E_RNA) where: Base-Base interactions energy: -1171.835 where: short stacking energy: -501.973 Base-Backbone interact. energy: -2.271 local terms energy: -525.279375 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -114.420 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -74.981 tors. eta vs tors. theta energy: -119.360 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: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1475.193591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.193591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.193591 (E_RNA) where: Base-Base interactions energy: -984.413 where: short stacking energy: -387.973 Base-Backbone interact. energy: -1.611 local terms energy: -489.169166 where: bonds (distance) C4'-P energy: -96.108 bonds (distance) P-C4' energy: -128.884 flat angles C4'-P-C4' energy: -120.071 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -81.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -788.492221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.492221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.492221 (E_RNA) where: Base-Base interactions energy: -436.200 where: short stacking energy: -252.014 Base-Backbone interact. energy: 2.043 local terms energy: -354.335270 where: bonds (distance) C4'-P energy: -117.191 bonds (distance) P-C4' energy: -96.186 flat angles C4'-P-C4' energy: -77.992 flat angles P-C4'-P energy: -64.017 tors. eta vs tors. theta energy: 1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2530.361529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.361529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.361529 (E_RNA) where: Base-Base interactions energy: -1770.595 where: short stacking energy: -781.222 Base-Backbone interact. energy: -2.465 local terms energy: -757.301942 where: bonds (distance) C4'-P energy: -132.382 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -160.735 flat angles P-C4'-P energy: -104.533 tors. eta vs tors. theta energy: -219.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2469.086387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.086387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.086387 (E_RNA) where: Base-Base interactions energy: -1742.188 where: short stacking energy: -719.460 Base-Backbone interact. energy: -0.322 local terms energy: -726.576106 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -129.167 flat angles C4'-P-C4' energy: -156.818 flat angles P-C4'-P energy: -99.862 tors. eta vs tors. theta energy: -197.609 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: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2387.997104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.997104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.997104 (E_RNA) where: Base-Base interactions energy: -1628.455 where: short stacking energy: -733.900 Base-Backbone interact. energy: -1.547 local terms energy: -757.994630 where: bonds (distance) C4'-P energy: -145.341 bonds (distance) P-C4' energy: -133.233 flat angles C4'-P-C4' energy: -153.147 flat angles P-C4'-P energy: -113.267 tors. eta vs tors. theta energy: -213.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2320.245662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.245662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.245662 (E_RNA) where: Base-Base interactions energy: -1617.929 where: short stacking energy: -687.142 Base-Backbone interact. energy: -0.175 local terms energy: -702.141553 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -138.637 flat angles C4'-P-C4' energy: -137.940 flat angles P-C4'-P energy: -100.243 tors. eta vs tors. theta energy: -202.147 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: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2066.275361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.275361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.275361 (E_RNA) where: Base-Base interactions energy: -1425.060 where: short stacking energy: -604.386 Base-Backbone interact. energy: -1.835 local terms energy: -639.380421 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -125.785 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -104.587 tors. eta vs tors. theta energy: -160.035 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: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2031.072016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.072016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.072016 (E_RNA) where: Base-Base interactions energy: -1446.166 where: short stacking energy: -590.105 Base-Backbone interact. energy: -1.451 local terms energy: -583.454544 where: bonds (distance) C4'-P energy: -111.765 bonds (distance) P-C4' energy: -120.748 flat angles C4'-P-C4' energy: -123.665 flat angles P-C4'-P energy: -87.176 tors. eta vs tors. theta energy: -140.101 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: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1971.660257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.660257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.660257 (E_RNA) where: Base-Base interactions energy: -1368.906 where: short stacking energy: -590.694 Base-Backbone interact. energy: -3.993 local terms energy: -598.760611 where: bonds (distance) C4'-P energy: -99.475 bonds (distance) P-C4' energy: -120.837 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -83.621 tors. eta vs tors. theta energy: -158.397 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1652.909973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.909973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.909973 (E_RNA) where: Base-Base interactions energy: -1135.612 where: short stacking energy: -470.588 Base-Backbone interact. energy: -1.045 local terms energy: -516.252754 where: bonds (distance) C4'-P energy: -104.691 bonds (distance) P-C4' energy: -118.394 flat angles C4'-P-C4' energy: -109.546 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -104.151 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: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1506.336232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.336232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.336232 (E_RNA) where: Base-Base interactions energy: -1000.795 where: short stacking energy: -459.842 Base-Backbone interact. energy: -4.425 local terms energy: -501.115848 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -68.681 tors. eta vs tors. theta energy: -89.095 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: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -718.347043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.347043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.347043 (E_RNA) where: Base-Base interactions energy: -367.380 where: short stacking energy: -231.301 Base-Backbone interact. energy: -0.460 local terms energy: -350.506796 where: bonds (distance) C4'-P energy: -108.466 bonds (distance) P-C4' energy: -112.957 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -13.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2507.133668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.133668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.133668 (E_RNA) where: Base-Base interactions energy: -1725.057 where: short stacking energy: -770.766 Base-Backbone interact. energy: -1.624 local terms energy: -780.451782 where: bonds (distance) C4'-P energy: -135.764 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -163.742 flat angles P-C4'-P energy: -113.946 tors. eta vs tors. theta energy: -221.448 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: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2452.656547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.656547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.656547 (E_RNA) where: Base-Base interactions energy: -1765.116 where: short stacking energy: -696.092 Base-Backbone interact. energy: -2.086 local terms energy: -685.454817 where: bonds (distance) C4'-P energy: -120.265 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -144.759 flat angles P-C4'-P energy: -104.020 tors. eta vs tors. theta energy: -189.062 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: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2369.774640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.774640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.774640 (E_RNA) where: Base-Base interactions energy: -1627.940 where: short stacking energy: -729.131 Base-Backbone interact. energy: -2.135 local terms energy: -739.699146 where: bonds (distance) C4'-P energy: -134.334 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -152.264 flat angles P-C4'-P energy: -111.885 tors. eta vs tors. theta energy: -198.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2302.140058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.140058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.140058 (E_RNA) where: Base-Base interactions energy: -1611.943 where: short stacking energy: -680.423 Base-Backbone interact. energy: -4.594 local terms energy: -685.603378 where: bonds (distance) C4'-P energy: -109.419 bonds (distance) P-C4' energy: -126.022 flat angles C4'-P-C4' energy: -159.737 flat angles P-C4'-P energy: -103.643 tors. eta vs tors. theta energy: -186.782 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: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2087.712882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.712882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.712882 (E_RNA) where: Base-Base interactions energy: -1416.217 where: short stacking energy: -644.712 Base-Backbone interact. energy: -2.665 local terms energy: -668.831189 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -133.074 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -95.866 tors. eta vs tors. theta energy: -172.272 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2020.514202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.514202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.514202 (E_RNA) where: Base-Base interactions energy: -1439.141 where: short stacking energy: -619.340 Base-Backbone interact. energy: 4.150 local terms energy: -585.523147 where: bonds (distance) C4'-P energy: -102.232 bonds (distance) P-C4' energy: -101.908 flat angles C4'-P-C4' energy: -126.700 flat angles P-C4'-P energy: -96.700 tors. eta vs tors. theta energy: -157.983 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: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1964.125326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.125326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.125326 (E_RNA) where: Base-Base interactions energy: -1343.891 where: short stacking energy: -571.710 Base-Backbone interact. energy: -1.387 local terms energy: -618.847472 where: bonds (distance) C4'-P energy: -110.123 bonds (distance) P-C4' energy: -130.246 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -98.628 tors. eta vs tors. theta energy: -151.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1622.390906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.390906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.390906 (E_RNA) where: Base-Base interactions energy: -1100.477 where: short stacking energy: -481.661 Base-Backbone interact. energy: -2.878 local terms energy: -519.035770 where: bonds (distance) C4'-P energy: -111.642 bonds (distance) P-C4' energy: -122.001 flat angles C4'-P-C4' energy: -115.382 flat angles P-C4'-P energy: -67.536 tors. eta vs tors. theta energy: -102.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1511.457302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.457302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.457302 (E_RNA) where: Base-Base interactions energy: -1017.045 where: short stacking energy: -429.985 Base-Backbone interact. energy: -2.700 local terms energy: -491.711909 where: bonds (distance) C4'-P energy: -107.533 bonds (distance) P-C4' energy: -118.092 flat angles C4'-P-C4' energy: -99.792 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: -83.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -758.212078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.212078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.212078 (E_RNA) where: Base-Base interactions energy: -385.899 where: short stacking energy: -206.883 Base-Backbone interact. energy: -2.532 local terms energy: -369.781707 where: bonds (distance) C4'-P energy: -124.168 bonds (distance) P-C4' energy: -104.767 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -33.777 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2515.132433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.132433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.132433 (E_RNA) where: Base-Base interactions energy: -1766.027 where: short stacking energy: -774.374 Base-Backbone interact. energy: -3.441 local terms energy: -745.663894 where: bonds (distance) C4'-P energy: -132.626 bonds (distance) P-C4' energy: -134.502 flat angles C4'-P-C4' energy: -157.587 flat angles P-C4'-P energy: -105.522 tors. eta vs tors. theta energy: -215.427 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: 4 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2458.273734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.273734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.273734 (E_RNA) where: Base-Base interactions energy: -1750.742 where: short stacking energy: -731.288 Base-Backbone interact. energy: -1.596 local terms energy: -705.935828 where: bonds (distance) C4'-P energy: -117.051 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -162.872 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -181.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2357.258864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.258864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.258864 (E_RNA) where: Base-Base interactions energy: -1660.366 where: short stacking energy: -713.818 Base-Backbone interact. energy: -2.017 local terms energy: -694.876431 where: bonds (distance) C4'-P energy: -126.761 bonds (distance) P-C4' energy: -118.798 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -102.151 tors. eta vs tors. theta energy: -195.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2296.962418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.962418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.962418 (E_RNA) where: Base-Base interactions energy: -1599.828 where: short stacking energy: -678.728 Base-Backbone interact. energy: 0.931 local terms energy: -698.065476 where: bonds (distance) C4'-P energy: -121.772 bonds (distance) P-C4' energy: -127.326 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -195.149 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: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2077.615739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.615739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.615739 (E_RNA) where: Base-Base interactions energy: -1458.519 where: short stacking energy: -607.397 Base-Backbone interact. energy: -1.967 local terms energy: -617.129835 where: bonds (distance) C4'-P energy: -119.776 bonds (distance) P-C4' energy: -95.644 flat angles C4'-P-C4' energy: -147.822 flat angles P-C4'-P energy: -101.134 tors. eta vs tors. theta energy: -152.754 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: 282 Temperature: 1.150000 Total energy: -2011.401167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.401167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.401167 (E_RNA) where: Base-Base interactions energy: -1403.872 where: short stacking energy: -572.875 Base-Backbone interact. energy: 0.066 local terms energy: -607.595022 where: bonds (distance) C4'-P energy: -103.604 bonds (distance) P-C4' energy: -128.295 flat angles C4'-P-C4' energy: -137.132 flat angles P-C4'-P energy: -92.466 tors. eta vs tors. theta energy: -146.098 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: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1892.518695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.518695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.518695 (E_RNA) where: Base-Base interactions energy: -1313.208 where: short stacking energy: -565.891 Base-Backbone interact. energy: -4.447 local terms energy: -574.863185 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -109.416 flat angles C4'-P-C4' energy: -119.014 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -139.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1645.129494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.129494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.129494 (E_RNA) where: Base-Base interactions energy: -1101.617 where: short stacking energy: -479.889 Base-Backbone interact. energy: -2.129 local terms energy: -541.383720 where: bonds (distance) C4'-P energy: -116.715 bonds (distance) P-C4' energy: -111.140 flat angles C4'-P-C4' energy: -126.459 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -101.397 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: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1524.339566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.339566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.339566 (E_RNA) where: Base-Base interactions energy: -1063.416 where: short stacking energy: -429.261 Base-Backbone interact. energy: -0.458 local terms energy: -460.465934 where: bonds (distance) C4'-P energy: -105.761 bonds (distance) P-C4' energy: -107.759 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: -82.305 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: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -750.931837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.931837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.931837 (E_RNA) where: Base-Base interactions energy: -379.697 where: short stacking energy: -227.728 Base-Backbone interact. energy: -0.115 local terms energy: -371.119798 where: bonds (distance) C4'-P energy: -100.803 bonds (distance) P-C4' energy: -129.825 flat angles C4'-P-C4' energy: -83.462 flat angles P-C4'-P energy: -66.567 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: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2492.077175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.077175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.077175 (E_RNA) where: Base-Base interactions energy: -1728.627 where: short stacking energy: -755.144 Base-Backbone interact. energy: -2.548 local terms energy: -760.901994 where: bonds (distance) C4'-P energy: -140.933 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -159.954 flat angles P-C4'-P energy: -100.721 tors. eta vs tors. theta energy: -212.743 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: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2465.801515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.801515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.801515 (E_RNA) where: Base-Base interactions energy: -1734.553 where: short stacking energy: -700.635 Base-Backbone interact. energy: 6.822 local terms energy: -738.070064 where: bonds (distance) C4'-P energy: -129.683 bonds (distance) P-C4' energy: -142.224 flat angles C4'-P-C4' energy: -159.601 flat angles P-C4'-P energy: -115.681 tors. eta vs tors. theta energy: -190.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2301.508231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.508231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.508231 (E_RNA) where: Base-Base interactions energy: -1603.013 where: short stacking energy: -680.847 Base-Backbone interact. energy: -3.033 local terms energy: -695.461972 where: bonds (distance) C4'-P energy: -126.490 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -143.553 flat angles P-C4'-P energy: -98.716 tors. eta vs tors. theta energy: -192.245 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: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2264.548847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.548847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.548847 (E_RNA) where: Base-Base interactions energy: -1569.235 where: short stacking energy: -657.315 Base-Backbone interact. energy: -5.558 local terms energy: -689.756551 where: bonds (distance) C4'-P energy: -116.445 bonds (distance) P-C4' energy: -129.357 flat angles C4'-P-C4' energy: -145.431 flat angles P-C4'-P energy: -105.768 tors. eta vs tors. theta energy: -192.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2102.381475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.381475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.381475 (E_RNA) where: Base-Base interactions energy: -1467.588 where: short stacking energy: -650.746 Base-Backbone interact. energy: -0.777 local terms energy: -634.016478 where: bonds (distance) C4'-P energy: -105.428 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -104.822 tors. eta vs tors. theta energy: -169.341 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: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1973.763472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.763472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.763472 (E_RNA) where: Base-Base interactions energy: -1379.241 where: short stacking energy: -583.713 Base-Backbone interact. energy: -1.516 local terms energy: -593.006823 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -141.644 flat angles P-C4'-P energy: -77.468 tors. eta vs tors. theta energy: -141.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1915.450111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.450111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.450111 (E_RNA) where: Base-Base interactions energy: -1331.364 where: short stacking energy: -568.100 Base-Backbone interact. energy: 0.367 local terms energy: -584.452875 where: bonds (distance) C4'-P energy: -103.043 bonds (distance) P-C4' energy: -142.773 flat angles C4'-P-C4' energy: -127.295 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -140.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1624.796786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.796786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.796786 (E_RNA) where: Base-Base interactions energy: -1105.840 where: short stacking energy: -467.792 Base-Backbone interact. energy: -0.410 local terms energy: -518.546930 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -127.321 flat angles C4'-P-C4' energy: -119.138 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: -100.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1565.961842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.961842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.961842 (E_RNA) where: Base-Base interactions energy: -1064.148 where: short stacking energy: -443.910 Base-Backbone interact. energy: 3.185 local terms energy: -504.999535 where: bonds (distance) C4'-P energy: -121.514 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -115.816 flat angles P-C4'-P energy: -82.520 tors. eta vs tors. theta energy: -81.723 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: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -771.556679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.556679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.556679 (E_RNA) where: Base-Base interactions energy: -413.662 where: short stacking energy: -253.781 Base-Backbone interact. energy: 5.221 local terms energy: -363.116322 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -29.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2514.144786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.144786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.144786 (E_RNA) where: Base-Base interactions energy: -1754.270 where: short stacking energy: -785.955 Base-Backbone interact. energy: -1.642 local terms energy: -758.231987 where: bonds (distance) C4'-P energy: -133.368 bonds (distance) P-C4' energy: -135.327 flat angles C4'-P-C4' energy: -167.424 flat angles P-C4'-P energy: -105.124 tors. eta vs tors. theta energy: -216.989 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: 284 Temperature: 0.950000 Total energy: -2496.600891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.600891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.600891 (E_RNA) where: Base-Base interactions energy: -1784.173 where: short stacking energy: -725.227 Base-Backbone interact. energy: 2.086 local terms energy: -714.513654 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -131.795 flat angles C4'-P-C4' energy: -150.605 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -192.147 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: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2310.084449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.084449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.084449 (E_RNA) where: Base-Base interactions energy: -1643.124 where: short stacking energy: -696.817 Base-Backbone interact. energy: -1.983 local terms energy: -664.977969 where: bonds (distance) C4'-P energy: -125.700 bonds (distance) P-C4' energy: -115.408 flat angles C4'-P-C4' energy: -143.078 flat angles P-C4'-P energy: -85.563 tors. eta vs tors. theta energy: -195.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2274.046744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.046744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.046744 (E_RNA) where: Base-Base interactions energy: -1582.757 where: short stacking energy: -689.909 Base-Backbone interact. energy: -0.721 local terms energy: -690.568813 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -144.238 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -187.511 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: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2075.121632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.121632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.121632 (E_RNA) where: Base-Base interactions energy: -1439.610 where: short stacking energy: -643.540 Base-Backbone interact. energy: -1.738 local terms energy: -633.773799 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -106.213 flat angles C4'-P-C4' energy: -143.066 flat angles P-C4'-P energy: -98.821 tors. eta vs tors. theta energy: -168.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2001.618000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.618000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.618000 (E_RNA) where: Base-Base interactions energy: -1394.517 where: short stacking energy: -595.462 Base-Backbone interact. energy: -1.433 local terms energy: -605.668125 where: bonds (distance) C4'-P energy: -106.615 bonds (distance) P-C4' energy: -134.310 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -82.974 tors. eta vs tors. theta energy: -147.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1942.327967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.327967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.327967 (E_RNA) where: Base-Base interactions energy: -1349.168 where: short stacking energy: -560.019 Base-Backbone interact. energy: -3.557 local terms energy: -589.603100 where: bonds (distance) C4'-P energy: -110.861 bonds (distance) P-C4' energy: -101.874 flat angles C4'-P-C4' energy: -145.235 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -141.439 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: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1670.793926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.793926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.793926 (E_RNA) where: Base-Base interactions energy: -1124.387 where: short stacking energy: -481.776 Base-Backbone interact. energy: 3.055 local terms energy: -549.461058 where: bonds (distance) C4'-P energy: -134.493 bonds (distance) P-C4' energy: -108.880 flat angles C4'-P-C4' energy: -118.648 flat angles P-C4'-P energy: -82.606 tors. eta vs tors. theta energy: -104.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1572.034045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.034045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.034045 (E_RNA) where: Base-Base interactions energy: -1050.915 where: short stacking energy: -489.356 Base-Backbone interact. energy: 1.581 local terms energy: -522.700228 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -124.194 flat angles P-C4'-P energy: -84.271 tors. eta vs tors. theta energy: -112.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -791.212410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.212410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.212410 (E_RNA) where: Base-Base interactions energy: -410.960 where: short stacking energy: -217.683 Base-Backbone interact. energy: 2.344 local terms energy: -382.596749 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -116.516 flat angles C4'-P-C4' energy: -86.019 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2525.721813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.721813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.721813 (E_RNA) where: Base-Base interactions energy: -1775.024 where: short stacking energy: -773.347 Base-Backbone interact. energy: -0.799 local terms energy: -749.899106 where: bonds (distance) C4'-P energy: -138.766 bonds (distance) P-C4' energy: -139.358 flat angles C4'-P-C4' energy: -151.213 flat angles P-C4'-P energy: -104.641 tors. eta vs tors. theta energy: -215.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2482.696521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.696521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.696521 (E_RNA) where: Base-Base interactions energy: -1771.257 where: short stacking energy: -719.645 Base-Backbone interact. energy: -6.205 local terms energy: -705.234921 where: bonds (distance) C4'-P energy: -121.472 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -147.086 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -193.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2334.972573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.972573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.972573 (E_RNA) where: Base-Base interactions energy: -1668.557 where: short stacking energy: -700.387 Base-Backbone interact. energy: -0.480 local terms energy: -665.935866 where: bonds (distance) C4'-P energy: -116.326 bonds (distance) P-C4' energy: -138.302 flat angles C4'-P-C4' energy: -137.600 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -184.240 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: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2272.300136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.300136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.300136 (E_RNA) where: Base-Base interactions energy: -1618.617 where: short stacking energy: -695.356 Base-Backbone interact. energy: -2.314 local terms energy: -651.369346 where: bonds (distance) C4'-P energy: -115.390 bonds (distance) P-C4' energy: -103.290 flat angles C4'-P-C4' energy: -155.354 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -186.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2110.585167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.585167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.585167 (E_RNA) where: Base-Base interactions energy: -1472.000 where: short stacking energy: -639.939 Base-Backbone interact. energy: -3.091 local terms energy: -635.494430 where: bonds (distance) C4'-P energy: -117.648 bonds (distance) P-C4' energy: -107.094 flat angles C4'-P-C4' energy: -139.679 flat angles P-C4'-P energy: -96.727 tors. eta vs tors. theta energy: -174.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2049.624003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.624003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.624003 (E_RNA) where: Base-Base interactions energy: -1446.376 where: short stacking energy: -615.398 Base-Backbone interact. energy: -2.063 local terms energy: -601.184911 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -112.454 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -154.996 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: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1912.972132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.972132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.972132 (E_RNA) where: Base-Base interactions energy: -1339.545 where: short stacking energy: -571.976 Base-Backbone interact. energy: -3.198 local terms energy: -570.229302 where: bonds (distance) C4'-P energy: -96.338 bonds (distance) P-C4' energy: -119.276 flat angles C4'-P-C4' energy: -137.623 flat angles P-C4'-P energy: -76.887 tors. eta vs tors. theta energy: -140.105 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: 285 Temperature: 1.250000 Total energy: -1706.356247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.356247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.356247 (E_RNA) where: Base-Base interactions energy: -1140.317 where: short stacking energy: -481.533 Base-Backbone interact. energy: 1.557 local terms energy: -567.595635 where: bonds (distance) C4'-P energy: -128.226 bonds (distance) P-C4' energy: -109.730 flat angles C4'-P-C4' energy: -137.783 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -110.437 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: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1547.231968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.231968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.231968 (E_RNA) where: Base-Base interactions energy: -1045.050 where: short stacking energy: -424.676 Base-Backbone interact. energy: -2.623 local terms energy: -499.558825 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -106.283 flat angles C4'-P-C4' energy: -115.987 flat angles P-C4'-P energy: -87.265 tors. eta vs tors. theta energy: -91.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -700.472273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.472273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.472273 (E_RNA) where: Base-Base interactions energy: -341.815 where: short stacking energy: -195.688 Base-Backbone interact. energy: -0.602 local terms energy: -358.055613 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -114.269 flat angles C4'-P-C4' energy: -92.768 flat angles P-C4'-P energy: -69.304 tors. eta vs tors. theta energy: 30.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2510.146218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.146218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.146218 (E_RNA) where: Base-Base interactions energy: -1761.745 where: short stacking energy: -754.017 Base-Backbone interact. energy: -5.129 local terms energy: -743.272461 where: bonds (distance) C4'-P energy: -134.625 bonds (distance) P-C4' energy: -126.346 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -121.076 tors. eta vs tors. theta energy: -203.588 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: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2459.939272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.939272 (E_RNA) where: Base-Base interactions energy: -1757.389 where: short stacking energy: -722.823 Base-Backbone interact. energy: -0.369 local terms energy: -702.181983 where: bonds (distance) C4'-P energy: -130.861 bonds (distance) P-C4' energy: -134.795 flat angles C4'-P-C4' energy: -147.539 flat angles P-C4'-P energy: -96.295 tors. eta vs tors. theta energy: -192.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2325.517537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.517537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.517537 (E_RNA) where: Base-Base interactions energy: -1633.364 where: short stacking energy: -683.695 Base-Backbone interact. energy: -1.184 local terms energy: -690.969150 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -136.246 flat angles C4'-P-C4' energy: -153.572 flat angles P-C4'-P energy: -102.266 tors. eta vs tors. theta energy: -183.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2266.351789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.351789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.351789 (E_RNA) where: Base-Base interactions energy: -1586.550 where: short stacking energy: -690.506 Base-Backbone interact. energy: -2.844 local terms energy: -676.957468 where: bonds (distance) C4'-P energy: -118.437 bonds (distance) P-C4' energy: -127.089 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -93.505 tors. eta vs tors. theta energy: -192.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2108.419583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.419583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.419583 (E_RNA) where: Base-Base interactions energy: -1446.940 where: short stacking energy: -624.810 Base-Backbone interact. energy: -1.730 local terms energy: -659.749986 where: bonds (distance) C4'-P energy: -122.526 bonds (distance) P-C4' energy: -122.379 flat angles C4'-P-C4' energy: -143.143 flat angles P-C4'-P energy: -90.608 tors. eta vs tors. theta energy: -181.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2003.024548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.024548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.024548 (E_RNA) where: Base-Base interactions energy: -1402.036 where: short stacking energy: -586.262 Base-Backbone interact. energy: -4.849 local terms energy: -596.138844 where: bonds (distance) C4'-P energy: -93.619 bonds (distance) P-C4' energy: -124.800 flat angles C4'-P-C4' energy: -143.626 flat angles P-C4'-P energy: -86.152 tors. eta vs tors. theta energy: -147.942 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: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1891.636661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.636661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.636661 (E_RNA) where: Base-Base interactions energy: -1326.726 where: short stacking energy: -551.469 Base-Backbone interact. energy: 0.924 local terms energy: -565.834891 where: bonds (distance) C4'-P energy: -111.162 bonds (distance) P-C4' energy: -105.015 flat angles C4'-P-C4' energy: -138.071 flat angles P-C4'-P energy: -78.240 tors. eta vs tors. theta energy: -133.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1711.206441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.206441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.206441 (E_RNA) where: Base-Base interactions energy: -1185.009 where: short stacking energy: -500.882 Base-Backbone interact. energy: -3.357 local terms energy: -522.840546 where: bonds (distance) C4'-P energy: -98.535 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -125.853 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -109.085 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: 286 Temperature: 1.300000 Total energy: -1623.458807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.458807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.458807 (E_RNA) where: Base-Base interactions energy: -1097.325 where: short stacking energy: -471.304 Base-Backbone interact. energy: -1.467 local terms energy: -524.666472 where: bonds (distance) C4'-P energy: -110.752 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -76.539 tors. eta vs tors. theta energy: -112.827 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: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -730.830223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.830223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.830223 (E_RNA) where: Base-Base interactions energy: -367.089 where: short stacking energy: -230.092 Base-Backbone interact. energy: 2.587 local terms energy: -366.327514 where: bonds (distance) C4'-P energy: -107.389 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -67.570 tors. eta vs tors. theta energy: 5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2492.206187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.206187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.206187 (E_RNA) where: Base-Base interactions energy: -1747.295 where: short stacking energy: -759.031 Base-Backbone interact. energy: 3.378 local terms energy: -748.288561 where: bonds (distance) C4'-P energy: -143.907 bonds (distance) P-C4' energy: -126.182 flat angles C4'-P-C4' energy: -158.934 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -211.735 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: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2504.094345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.094345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.094345 (E_RNA) where: Base-Base interactions energy: -1771.358 where: short stacking energy: -711.413 Base-Backbone interact. energy: -5.538 local terms energy: -727.197850 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -136.053 flat angles C4'-P-C4' energy: -146.012 flat angles P-C4'-P energy: -109.678 tors. eta vs tors. theta energy: -189.846 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: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2308.958780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.958780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.958780 (E_RNA) where: Base-Base interactions energy: -1606.539 where: short stacking energy: -666.395 Base-Backbone interact. energy: -4.135 local terms energy: -698.284458 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -140.718 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -93.642 tors. eta vs tors. theta energy: -185.492 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: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2294.523667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.523667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.523667 (E_RNA) where: Base-Base interactions energy: -1618.498 where: short stacking energy: -690.157 Base-Backbone interact. energy: -3.420 local terms energy: -672.605767 where: bonds (distance) C4'-P energy: -124.536 bonds (distance) P-C4' energy: -119.034 flat angles C4'-P-C4' energy: -136.781 flat angles P-C4'-P energy: -97.940 tors. eta vs tors. theta energy: -194.315 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2090.306535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.306535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.306535 (E_RNA) where: Base-Base interactions energy: -1424.258 where: short stacking energy: -629.241 Base-Backbone interact. energy: -2.887 local terms energy: -663.161240 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -123.499 flat angles C4'-P-C4' energy: -148.762 flat angles P-C4'-P energy: -101.858 tors. eta vs tors. theta energy: -176.858 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: 287 Temperature: 1.150000 Total energy: -2002.490456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.490456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.490456 (E_RNA) where: Base-Base interactions energy: -1398.216 where: short stacking energy: -603.227 Base-Backbone interact. energy: -3.204 local terms energy: -601.070449 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -116.834 flat angles C4'-P-C4' energy: -130.273 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -143.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1932.315243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.315243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.315243 (E_RNA) where: Base-Base interactions energy: -1341.205 where: short stacking energy: -554.997 Base-Backbone interact. energy: -2.840 local terms energy: -588.270007 where: bonds (distance) C4'-P energy: -116.025 bonds (distance) P-C4' energy: -131.851 flat angles C4'-P-C4' energy: -119.584 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -148.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1686.831621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.831621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.831621 (E_RNA) where: Base-Base interactions energy: -1163.985 where: short stacking energy: -496.572 Base-Backbone interact. energy: -1.189 local terms energy: -521.656961 where: bonds (distance) C4'-P energy: -109.715 bonds (distance) P-C4' energy: -115.115 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -56.937 tors. eta vs tors. theta energy: -124.125 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: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1568.054896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.054896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.054896 (E_RNA) where: Base-Base interactions energy: -1017.070 where: short stacking energy: -435.536 Base-Backbone interact. energy: 4.623 local terms energy: -555.608074 where: bonds (distance) C4'-P energy: -123.069 bonds (distance) P-C4' energy: -123.768 flat angles C4'-P-C4' energy: -129.271 flat angles P-C4'-P energy: -89.341 tors. eta vs tors. theta energy: -90.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -818.593864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.593864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.593864 (E_RNA) where: Base-Base interactions energy: -436.498 where: short stacking energy: -240.799 Base-Backbone interact. energy: -2.265 local terms energy: -379.830617 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -97.667 flat angles P-C4'-P energy: -59.918 tors. eta vs tors. theta energy: -12.148 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: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2505.457839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.457839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.457839 (E_RNA) where: Base-Base interactions energy: -1742.663 where: short stacking energy: -762.446 Base-Backbone interact. energy: -0.094 local terms energy: -762.700987 where: bonds (distance) C4'-P energy: -139.475 bonds (distance) P-C4' energy: -141.040 flat angles C4'-P-C4' energy: -157.702 flat angles P-C4'-P energy: -110.579 tors. eta vs tors. theta energy: -213.904 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: 288 Temperature: 0.950000 Total energy: -2499.866458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.866458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.866458 (E_RNA) where: Base-Base interactions energy: -1793.619 where: short stacking energy: -720.295 Base-Backbone interact. energy: 2.905 local terms energy: -709.152460 where: bonds (distance) C4'-P energy: -122.681 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -102.959 tors. eta vs tors. theta energy: -199.978 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: 288 Temperature: 1.000000 Total energy: -2334.834366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.834366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.834366 (E_RNA) where: Base-Base interactions energy: -1628.721 where: short stacking energy: -686.161 Base-Backbone interact. energy: -3.157 local terms energy: -702.956058 where: bonds (distance) C4'-P energy: -127.012 bonds (distance) P-C4' energy: -140.883 flat angles C4'-P-C4' energy: -148.233 flat angles P-C4'-P energy: -90.252 tors. eta vs tors. theta energy: -196.575 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: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2249.503895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.503895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.503895 (E_RNA) where: Base-Base interactions energy: -1582.177 where: short stacking energy: -670.972 Base-Backbone interact. energy: -1.467 local terms energy: -665.860795 where: bonds (distance) C4'-P energy: -112.307 bonds (distance) P-C4' energy: -120.828 flat angles C4'-P-C4' energy: -153.778 flat angles P-C4'-P energy: -97.604 tors. eta vs tors. theta energy: -181.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2086.789369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.789369 (E_RNA) where: Base-Base interactions energy: -1466.202 where: short stacking energy: -641.961 Base-Backbone interact. energy: -0.193 local terms energy: -620.394737 where: bonds (distance) C4'-P energy: -98.664 bonds (distance) P-C4' energy: -134.786 flat angles C4'-P-C4' energy: -138.812 flat angles P-C4'-P energy: -81.816 tors. eta vs tors. theta energy: -166.317 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1993.500286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.500286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.500286 (E_RNA) where: Base-Base interactions energy: -1382.607 where: short stacking energy: -610.609 Base-Backbone interact. energy: 1.774 local terms energy: -612.666773 where: bonds (distance) C4'-P energy: -110.186 bonds (distance) P-C4' energy: -132.176 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -88.780 tors. eta vs tors. theta energy: -154.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1893.946156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.946156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.946156 (E_RNA) where: Base-Base interactions energy: -1323.445 where: short stacking energy: -543.908 Base-Backbone interact. energy: -1.459 local terms energy: -569.042564 where: bonds (distance) C4'-P energy: -109.267 bonds (distance) P-C4' energy: -115.946 flat angles C4'-P-C4' energy: -113.203 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -141.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1705.993121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.993121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.993121 (E_RNA) where: Base-Base interactions energy: -1134.142 where: short stacking energy: -469.998 Base-Backbone interact. energy: 1.330 local terms energy: -573.181378 where: bonds (distance) C4'-P energy: -130.815 bonds (distance) P-C4' energy: -108.745 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -105.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1535.268681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.268681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.268681 (E_RNA) where: Base-Base interactions energy: -1025.093 where: short stacking energy: -436.746 Base-Backbone interact. energy: 0.060 local terms energy: -510.235211 where: bonds (distance) C4'-P energy: -95.108 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -120.970 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -83.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -827.253294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.253294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.253294 (E_RNA) where: Base-Base interactions energy: -453.638 where: short stacking energy: -237.080 Base-Backbone interact. energy: -1.172 local terms energy: -372.443583 where: bonds (distance) C4'-P energy: -99.483 bonds (distance) P-C4' energy: -110.133 flat angles C4'-P-C4' energy: -90.284 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -28.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2521.369275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.369275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.369275 (E_RNA) where: Base-Base interactions energy: -1758.939 where: short stacking energy: -738.157 Base-Backbone interact. energy: -3.220 local terms energy: -759.210204 where: bonds (distance) C4'-P energy: -143.667 bonds (distance) P-C4' energy: -125.943 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -118.397 tors. eta vs tors. theta energy: -212.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2464.312163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.312163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.312163 (E_RNA) where: Base-Base interactions energy: -1733.163 where: short stacking energy: -711.107 Base-Backbone interact. energy: 4.546 local terms energy: -735.695437 where: bonds (distance) C4'-P energy: -141.624 bonds (distance) P-C4' energy: -141.527 flat angles C4'-P-C4' energy: -156.216 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -187.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2351.136772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.136772 (E_RNA) where: Base-Base interactions energy: -1631.097 where: short stacking energy: -682.270 Base-Backbone interact. energy: -5.395 local terms energy: -715.170828 where: bonds (distance) C4'-P energy: -124.661 bonds (distance) P-C4' energy: -124.676 flat angles C4'-P-C4' energy: -158.495 flat angles P-C4'-P energy: -110.000 tors. eta vs tors. theta energy: -197.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.526 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2234.352988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.352988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.352988 (E_RNA) where: Base-Base interactions energy: -1559.431 where: short stacking energy: -655.709 Base-Backbone interact. energy: -2.138 local terms energy: -672.784031 where: bonds (distance) C4'-P energy: -123.732 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -141.652 flat angles P-C4'-P energy: -103.021 tors. eta vs tors. theta energy: -177.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2079.116421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.116421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.116421 (E_RNA) where: Base-Base interactions energy: -1453.811 where: short stacking energy: -635.247 Base-Backbone interact. energy: 1.223 local terms energy: -626.527795 where: bonds (distance) C4'-P energy: -113.117 bonds (distance) P-C4' energy: -113.989 flat angles C4'-P-C4' energy: -140.246 flat angles P-C4'-P energy: -94.281 tors. eta vs tors. theta energy: -164.895 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: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1999.433806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.433806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.433806 (E_RNA) where: Base-Base interactions energy: -1423.800 where: short stacking energy: -588.098 Base-Backbone interact. energy: 0.480 local terms energy: -576.114330 where: bonds (distance) C4'-P energy: -92.556 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -124.106 flat angles P-C4'-P energy: -87.283 tors. eta vs tors. theta energy: -151.199 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: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1895.729079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.729079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.729079 (E_RNA) where: Base-Base interactions energy: -1311.820 where: short stacking energy: -542.837 Base-Backbone interact. energy: -1.583 local terms energy: -582.326354 where: bonds (distance) C4'-P energy: -96.201 bonds (distance) P-C4' energy: -114.743 flat angles C4'-P-C4' energy: -139.553 flat angles P-C4'-P energy: -79.783 tors. eta vs tors. theta energy: -152.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1698.533555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.533555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.533555 (E_RNA) where: Base-Base interactions energy: -1182.262 where: short stacking energy: -475.744 Base-Backbone interact. energy: -1.287 local terms energy: -514.984326 where: bonds (distance) C4'-P energy: -114.585 bonds (distance) P-C4' energy: -112.377 flat angles C4'-P-C4' energy: -123.582 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -93.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1512.348835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.348835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.348835 (E_RNA) where: Base-Base interactions energy: -1059.359 where: short stacking energy: -461.826 Base-Backbone interact. energy: 1.065 local terms energy: -454.054543 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -91.182 flat angles C4'-P-C4' energy: -112.067 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -76.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -816.675436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.675436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.675436 (E_RNA) where: Base-Base interactions energy: -458.280 where: short stacking energy: -265.837 Base-Backbone interact. energy: 1.810 local terms energy: -360.205222 where: bonds (distance) C4'-P energy: -90.680 bonds (distance) P-C4' energy: -100.034 flat angles C4'-P-C4' energy: -96.952 flat angles P-C4'-P energy: -61.777 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: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2503.977407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.977407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.977407 (E_RNA) where: Base-Base interactions energy: -1735.543 where: short stacking energy: -769.126 Base-Backbone interact. energy: 0.218 local terms energy: -768.652270 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -148.859 flat angles C4'-P-C4' energy: -162.527 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -220.138 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: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2474.993792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.993792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.993792 (E_RNA) where: Base-Base interactions energy: -1750.850 where: short stacking energy: -725.591 Base-Backbone interact. energy: -5.383 local terms energy: -718.760252 where: bonds (distance) C4'-P energy: -137.553 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -152.493 flat angles P-C4'-P energy: -93.601 tors. eta vs tors. theta energy: -192.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2371.400418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.400418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.400418 (E_RNA) where: Base-Base interactions energy: -1638.411 where: short stacking energy: -700.935 Base-Backbone interact. energy: -4.418 local terms energy: -729.083678 where: bonds (distance) C4'-P energy: -140.583 bonds (distance) P-C4' energy: -142.940 flat angles C4'-P-C4' energy: -152.583 flat angles P-C4'-P energy: -104.813 tors. eta vs tors. theta energy: -188.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.513 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2231.534018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.534018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.534018 (E_RNA) where: Base-Base interactions energy: -1547.195 where: short stacking energy: -658.795 Base-Backbone interact. energy: 4.847 local terms energy: -689.185913 where: bonds (distance) C4'-P energy: -136.871 bonds (distance) P-C4' energy: -126.812 flat angles C4'-P-C4' energy: -150.140 flat angles P-C4'-P energy: -98.676 tors. eta vs tors. theta energy: -176.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2061.282598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.282598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.282598 (E_RNA) where: Base-Base interactions energy: -1436.048 where: short stacking energy: -618.715 Base-Backbone interact. energy: 4.629 local terms energy: -629.864122 where: bonds (distance) C4'-P energy: -112.233 bonds (distance) P-C4' energy: -124.488 flat angles C4'-P-C4' energy: -132.017 flat angles P-C4'-P energy: -97.434 tors. eta vs tors. theta energy: -163.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1992.765253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.765253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.765253 (E_RNA) where: Base-Base interactions energy: -1404.487 where: short stacking energy: -622.539 Base-Backbone interact. energy: -3.195 local terms energy: -585.083146 where: bonds (distance) C4'-P energy: -107.643 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -133.600 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -142.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1976.647534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.647534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.647534 (E_RNA) where: Base-Base interactions energy: -1380.532 where: short stacking energy: -593.958 Base-Backbone interact. energy: -0.472 local terms energy: -595.642859 where: bonds (distance) C4'-P energy: -111.847 bonds (distance) P-C4' energy: -103.353 flat angles C4'-P-C4' energy: -137.175 flat angles P-C4'-P energy: -84.142 tors. eta vs tors. theta energy: -159.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1722.609594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.609594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.609594 (E_RNA) where: Base-Base interactions energy: -1179.857 where: short stacking energy: -522.988 Base-Backbone interact. energy: -0.980 local terms energy: -541.772605 where: bonds (distance) C4'-P energy: -102.978 bonds (distance) P-C4' energy: -119.616 flat angles C4'-P-C4' energy: -114.478 flat angles P-C4'-P energy: -89.451 tors. eta vs tors. theta energy: -115.250 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: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1552.476298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.476298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.476298 (E_RNA) where: Base-Base interactions energy: -1033.213 where: short stacking energy: -462.706 Base-Backbone interact. energy: -3.149 local terms energy: -516.114473 where: bonds (distance) C4'-P energy: -109.926 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -122.029 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -95.360 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: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -732.636684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.636684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.636684 (E_RNA) where: Base-Base interactions energy: -353.249 where: short stacking energy: -194.064 Base-Backbone interact. energy: -1.414 local terms energy: -377.973345 where: bonds (distance) C4'-P energy: -114.208 bonds (distance) P-C4' energy: -110.453 flat angles C4'-P-C4' energy: -100.167 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: 10.448 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2490.021601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.021601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.021601 (E_RNA) where: Base-Base interactions energy: -1741.356 where: short stacking energy: -768.378 Base-Backbone interact. energy: -3.888 local terms energy: -744.777875 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -128.046 flat angles C4'-P-C4' energy: -155.930 flat angles P-C4'-P energy: -109.553 tors. eta vs tors. theta energy: -213.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2486.950216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.950216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.950216 (E_RNA) where: Base-Base interactions energy: -1778.270 where: short stacking energy: -731.263 Base-Backbone interact. energy: -2.467 local terms energy: -706.213664 where: bonds (distance) C4'-P energy: -131.952 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -104.033 tors. eta vs tors. theta energy: -192.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2357.674237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.674237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.674237 (E_RNA) where: Base-Base interactions energy: -1649.406 where: short stacking energy: -694.495 Base-Backbone interact. energy: -3.914 local terms energy: -704.828696 where: bonds (distance) C4'-P energy: -132.353 bonds (distance) P-C4' energy: -126.133 flat angles C4'-P-C4' energy: -149.642 flat angles P-C4'-P energy: -103.647 tors. eta vs tors. theta energy: -193.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.475 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2223.815633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.815633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.815633 (E_RNA) where: Base-Base interactions energy: -1560.896 where: short stacking energy: -666.997 Base-Backbone interact. energy: -1.057 local terms energy: -661.862568 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -133.857 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -176.838 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: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2103.345448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.345448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.345448 (E_RNA) where: Base-Base interactions energy: -1460.257 where: short stacking energy: -638.161 Base-Backbone interact. energy: -2.431 local terms energy: -640.657353 where: bonds (distance) C4'-P energy: -112.344 bonds (distance) P-C4' energy: -125.538 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -90.456 tors. eta vs tors. theta energy: -168.690 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: 291 Temperature: 1.150000 Total energy: -2002.370758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.370758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.370758 (E_RNA) where: Base-Base interactions energy: -1381.881 where: short stacking energy: -598.352 Base-Backbone interact. energy: -4.340 local terms energy: -616.149607 where: bonds (distance) C4'-P energy: -113.853 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -139.902 flat angles P-C4'-P energy: -75.803 tors. eta vs tors. theta energy: -168.159 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1949.176835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.176835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.176835 (E_RNA) where: Base-Base interactions energy: -1330.556 where: short stacking energy: -583.853 Base-Backbone interact. energy: 1.987 local terms energy: -620.607222 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -132.772 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -96.663 tors. eta vs tors. theta energy: -153.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1752.489157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.489157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.489157 (E_RNA) where: Base-Base interactions energy: -1240.713 where: short stacking energy: -506.442 Base-Backbone interact. energy: -1.210 local terms energy: -510.565677 where: bonds (distance) C4'-P energy: -85.099 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -113.580 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: 3 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1537.680258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.680258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.680258 (E_RNA) where: Base-Base interactions energy: -1015.694 where: short stacking energy: -478.660 Base-Backbone interact. energy: 1.875 local terms energy: -523.861884 where: bonds (distance) C4'-P energy: -114.007 bonds (distance) P-C4' energy: -121.545 flat angles C4'-P-C4' energy: -122.361 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -92.733 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: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -772.783270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.783270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.783270 (E_RNA) where: Base-Base interactions energy: -382.509 where: short stacking energy: -238.392 Base-Backbone interact. energy: 1.653 local terms energy: -391.927401 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -118.547 flat angles C4'-P-C4' energy: -99.742 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: -14.934 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: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2531.633416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.633416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.633416 (E_RNA) where: Base-Base interactions energy: -1767.102 where: short stacking energy: -789.730 Base-Backbone interact. energy: -2.255 local terms energy: -762.276206 where: bonds (distance) C4'-P energy: -139.977 bonds (distance) P-C4' energy: -132.952 flat angles C4'-P-C4' energy: -165.752 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -218.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2480.043726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.043726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.043726 (E_RNA) where: Base-Base interactions energy: -1769.325 where: short stacking energy: -714.946 Base-Backbone interact. energy: 0.748 local terms energy: -711.466321 where: bonds (distance) C4'-P energy: -129.855 bonds (distance) P-C4' energy: -134.142 flat angles C4'-P-C4' energy: -164.230 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -186.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2341.878669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.878669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.878669 (E_RNA) where: Base-Base interactions energy: -1631.207 where: short stacking energy: -699.400 Base-Backbone interact. energy: -1.147 local terms energy: -709.649312 where: bonds (distance) C4'-P energy: -130.102 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -148.373 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -202.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.125 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2275.040614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.040614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.040614 (E_RNA) where: Base-Base interactions energy: -1584.892 where: short stacking energy: -682.482 Base-Backbone interact. energy: -3.009 local terms energy: -687.139744 where: bonds (distance) C4'-P energy: -127.303 bonds (distance) P-C4' energy: -115.549 flat angles C4'-P-C4' energy: -151.951 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -196.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2012.088545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.088545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.088545 (E_RNA) where: Base-Base interactions energy: -1388.170 where: short stacking energy: -609.187 Base-Backbone interact. energy: -3.830 local terms energy: -620.089188 where: bonds (distance) C4'-P energy: -123.448 bonds (distance) P-C4' energy: -116.321 flat angles C4'-P-C4' energy: -135.948 flat angles P-C4'-P energy: -92.397 tors. eta vs tors. theta energy: -151.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2044.725835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.725835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.725835 (E_RNA) where: Base-Base interactions energy: -1388.902 where: short stacking energy: -611.752 Base-Backbone interact. energy: -2.149 local terms energy: -653.675037 where: bonds (distance) C4'-P energy: -123.345 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -140.758 flat angles P-C4'-P energy: -97.006 tors. eta vs tors. theta energy: -167.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1912.804264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.804264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.804264 (E_RNA) where: Base-Base interactions energy: -1352.171 where: short stacking energy: -542.668 Base-Backbone interact. energy: -0.701 local terms energy: -559.932209 where: bonds (distance) C4'-P energy: -105.953 bonds (distance) P-C4' energy: -111.044 flat angles C4'-P-C4' energy: -132.548 flat angles P-C4'-P energy: -86.189 tors. eta vs tors. theta energy: -124.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1680.805267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.805267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.805267 (E_RNA) where: Base-Base interactions energy: -1142.557 where: short stacking energy: -501.677 Base-Backbone interact. energy: 2.079 local terms energy: -540.327662 where: bonds (distance) C4'-P energy: -104.835 bonds (distance) P-C4' energy: -118.922 flat angles C4'-P-C4' energy: -137.685 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: -104.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1506.608802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.608802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.608802 (E_RNA) where: Base-Base interactions energy: -1005.425 where: short stacking energy: -443.952 Base-Backbone interact. energy: -3.168 local terms energy: -498.015637 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -109.123 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -99.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -767.897197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.897197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.897197 (E_RNA) where: Base-Base interactions energy: -381.158 where: short stacking energy: -213.629 Base-Backbone interact. energy: 3.953 local terms energy: -390.692285 where: bonds (distance) C4'-P energy: -110.304 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -68.772 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2526.674053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.674053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.674053 (E_RNA) where: Base-Base interactions energy: -1761.755 where: short stacking energy: -772.241 Base-Backbone interact. energy: -3.014 local terms energy: -761.904943 where: bonds (distance) C4'-P energy: -135.026 bonds (distance) P-C4' energy: -148.734 flat angles C4'-P-C4' energy: -158.336 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -214.569 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: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2460.160370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.160370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.160370 (E_RNA) where: Base-Base interactions energy: -1726.551 where: short stacking energy: -717.140 Base-Backbone interact. energy: -2.689 local terms energy: -730.920880 where: bonds (distance) C4'-P energy: -127.661 bonds (distance) P-C4' energy: -135.618 flat angles C4'-P-C4' energy: -159.901 flat angles P-C4'-P energy: -106.025 tors. eta vs tors. theta energy: -201.716 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: 293 Temperature: 1.000000 Total energy: -2330.404564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.404564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.404564 (E_RNA) where: Base-Base interactions energy: -1627.482 where: short stacking energy: -679.781 Base-Backbone interact. energy: -2.211 local terms energy: -700.711530 where: bonds (distance) C4'-P energy: -127.894 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -148.418 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -192.853 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2267.061869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.061869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.061869 (E_RNA) where: Base-Base interactions energy: -1580.875 where: short stacking energy: -675.999 Base-Backbone interact. energy: 1.371 local terms energy: -687.557124 where: bonds (distance) C4'-P energy: -122.531 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -151.178 flat angles P-C4'-P energy: -85.436 tors. eta vs tors. theta energy: -190.262 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: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2040.155633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.155633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.155633 (E_RNA) where: Base-Base interactions energy: -1404.388 where: short stacking energy: -622.606 Base-Backbone interact. energy: -1.683 local terms energy: -634.083781 where: bonds (distance) C4'-P energy: -117.491 bonds (distance) P-C4' energy: -129.186 flat angles C4'-P-C4' energy: -143.657 flat angles P-C4'-P energy: -91.964 tors. eta vs tors. theta energy: -151.786 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: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2058.402128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.402128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.402128 (E_RNA) where: Base-Base interactions energy: -1404.204 where: short stacking energy: -608.596 Base-Backbone interact. energy: 2.229 local terms energy: -656.427125 where: bonds (distance) C4'-P energy: -119.510 bonds (distance) P-C4' energy: -121.716 flat angles C4'-P-C4' energy: -147.745 flat angles P-C4'-P energy: -87.623 tors. eta vs tors. theta energy: -179.834 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: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1958.584887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.584887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.584887 (E_RNA) where: Base-Base interactions energy: -1369.479 where: short stacking energy: -562.915 Base-Backbone interact. energy: -3.437 local terms energy: -585.669462 where: bonds (distance) C4'-P energy: -110.685 bonds (distance) P-C4' energy: -111.201 flat angles C4'-P-C4' energy: -137.699 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -148.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1722.895943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.895943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.895943 (E_RNA) where: Base-Base interactions energy: -1175.669 where: short stacking energy: -491.898 Base-Backbone interact. energy: -0.405 local terms energy: -546.821136 where: bonds (distance) C4'-P energy: -103.932 bonds (distance) P-C4' energy: -119.284 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -77.526 tors. eta vs tors. theta energy: -129.489 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: 293 Temperature: 1.300000 Total energy: -1479.833561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.833561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.833561 (E_RNA) where: Base-Base interactions energy: -1007.635 where: short stacking energy: -427.773 Base-Backbone interact. energy: 1.010 local terms energy: -473.208967 where: bonds (distance) C4'-P energy: -90.829 bonds (distance) P-C4' energy: -123.470 flat angles C4'-P-C4' energy: -122.298 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -75.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -734.083369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.083369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.083369 (E_RNA) where: Base-Base interactions energy: -398.189 where: short stacking energy: -221.102 Base-Backbone interact. energy: 4.853 local terms energy: -340.747952 where: bonds (distance) C4'-P energy: -97.207 bonds (distance) P-C4' energy: -104.345 flat angles C4'-P-C4' energy: -98.305 flat angles P-C4'-P energy: -52.163 tors. eta vs tors. theta energy: 11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2523.462612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.462612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.462612 (E_RNA) where: Base-Base interactions energy: -1778.678 where: short stacking energy: -727.309 Base-Backbone interact. energy: -4.175 local terms energy: -740.610052 where: bonds (distance) C4'-P energy: -134.495 bonds (distance) P-C4' energy: -148.999 flat angles C4'-P-C4' energy: -156.908 flat angles P-C4'-P energy: -109.205 tors. eta vs tors. theta energy: -191.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2453.702161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.702161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.702161 (E_RNA) where: Base-Base interactions energy: -1725.856 where: short stacking energy: -769.676 Base-Backbone interact. energy: -3.574 local terms energy: -724.272831 where: bonds (distance) C4'-P energy: -113.071 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -153.610 flat angles P-C4'-P energy: -107.956 tors. eta vs tors. theta energy: -215.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2355.518231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.518231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.518231 (E_RNA) where: Base-Base interactions energy: -1645.019 where: short stacking energy: -712.673 Base-Backbone interact. energy: -3.435 local terms energy: -707.063912 where: bonds (distance) C4'-P energy: -125.613 bonds (distance) P-C4' energy: -136.630 flat angles C4'-P-C4' energy: -147.768 flat angles P-C4'-P energy: -95.328 tors. eta vs tors. theta energy: -201.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2249.470178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.470178 (E_RNA) where: Base-Base interactions energy: -1585.378 where: short stacking energy: -665.362 Base-Backbone interact. energy: 0.313 local terms energy: -664.405263 where: bonds (distance) C4'-P energy: -135.579 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -170.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2049.166299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.166299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.166299 (E_RNA) where: Base-Base interactions energy: -1434.138 where: short stacking energy: -613.221 Base-Backbone interact. energy: -0.931 local terms energy: -614.098125 where: bonds (distance) C4'-P energy: -101.776 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -97.737 tors. eta vs tors. theta energy: -160.093 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: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2010.803952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.803952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.803952 (E_RNA) where: Base-Base interactions energy: -1380.473 where: short stacking energy: -626.583 Base-Backbone interact. energy: 0.668 local terms energy: -630.998556 where: bonds (distance) C4'-P energy: -111.432 bonds (distance) P-C4' energy: -118.133 flat angles C4'-P-C4' energy: -134.374 flat angles P-C4'-P energy: -98.916 tors. eta vs tors. theta energy: -168.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1948.813152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.813152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.813152 (E_RNA) where: Base-Base interactions energy: -1386.282 where: short stacking energy: -582.797 Base-Backbone interact. energy: 0.710 local terms energy: -563.241153 where: bonds (distance) C4'-P energy: -105.183 bonds (distance) P-C4' energy: -102.490 flat angles C4'-P-C4' energy: -140.432 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: -133.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1768.423129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.423129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.423129 (E_RNA) where: Base-Base interactions energy: -1208.305 where: short stacking energy: -508.859 Base-Backbone interact. energy: 1.250 local terms energy: -561.368161 where: bonds (distance) C4'-P energy: -116.982 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -77.621 tors. eta vs tors. theta energy: -115.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1476.500677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.500677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.500677 (E_RNA) where: Base-Base interactions energy: -1007.288 where: short stacking energy: -425.751 Base-Backbone interact. energy: -2.664 local terms energy: -466.548445 where: bonds (distance) C4'-P energy: -86.971 bonds (distance) P-C4' energy: -120.174 flat angles C4'-P-C4' energy: -99.488 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -90.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -789.343635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.343635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.343635 (E_RNA) where: Base-Base interactions energy: -401.157 where: short stacking energy: -210.758 Base-Backbone interact. energy: 2.248 local terms energy: -390.434523 where: bonds (distance) C4'-P energy: -119.781 bonds (distance) P-C4' energy: -111.241 flat angles C4'-P-C4' energy: -101.455 flat angles P-C4'-P energy: -69.329 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: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2529.350530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.350530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.350530 (E_RNA) where: Base-Base interactions energy: -1788.934 where: short stacking energy: -723.222 Base-Backbone interact. energy: 1.543 local terms energy: -741.959809 where: bonds (distance) C4'-P energy: -127.004 bonds (distance) P-C4' energy: -143.083 flat angles C4'-P-C4' energy: -169.328 flat angles P-C4'-P energy: -105.942 tors. eta vs tors. theta energy: -196.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2477.185134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.185134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.185134 (E_RNA) where: Base-Base interactions energy: -1739.274 where: short stacking energy: -770.085 Base-Backbone interact. energy: -3.534 local terms energy: -734.376805 where: bonds (distance) C4'-P energy: -121.455 bonds (distance) P-C4' energy: -134.331 flat angles C4'-P-C4' energy: -161.789 flat angles P-C4'-P energy: -102.662 tors. eta vs tors. theta energy: -214.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2312.677572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.677572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.677572 (E_RNA) where: Base-Base interactions energy: -1610.789 where: short stacking energy: -677.711 Base-Backbone interact. energy: 2.099 local terms energy: -703.987134 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -131.985 flat angles C4'-P-C4' energy: -148.531 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -193.454 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: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2261.276798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.276798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.276798 (E_RNA) where: Base-Base interactions energy: -1575.990 where: short stacking energy: -685.838 Base-Backbone interact. energy: -1.879 local terms energy: -683.408440 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -151.780 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -81.390 tors. eta vs tors. theta energy: -191.446 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: 295 Temperature: 1.100000 Total energy: -2039.216113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.216113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.216113 (E_RNA) where: Base-Base interactions energy: -1428.242 where: short stacking energy: -615.757 Base-Backbone interact. energy: 0.849 local terms energy: -611.822361 where: bonds (distance) C4'-P energy: -106.508 bonds (distance) P-C4' energy: -118.366 flat angles C4'-P-C4' energy: -143.572 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -140.845 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: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2035.492025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.492025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.492025 (E_RNA) where: Base-Base interactions energy: -1383.421 where: short stacking energy: -608.039 Base-Backbone interact. energy: -1.585 local terms energy: -650.485693 where: bonds (distance) C4'-P energy: -130.409 bonds (distance) P-C4' energy: -120.443 flat angles C4'-P-C4' energy: -142.915 flat angles P-C4'-P energy: -86.200 tors. eta vs tors. theta energy: -170.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1911.902758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.902758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.902758 (E_RNA) where: Base-Base interactions energy: -1341.656 where: short stacking energy: -563.142 Base-Backbone interact. energy: 2.258 local terms energy: -572.505284 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -118.607 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -86.550 tors. eta vs tors. theta energy: -141.595 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1702.848017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.848017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.848017 (E_RNA) where: Base-Base interactions energy: -1181.974 where: short stacking energy: -504.294 Base-Backbone interact. energy: -1.722 local terms energy: -519.152334 where: bonds (distance) C4'-P energy: -89.449 bonds (distance) P-C4' energy: -113.592 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -115.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1456.900222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.900222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.900222 (E_RNA) where: Base-Base interactions energy: -979.154 where: short stacking energy: -427.407 Base-Backbone interact. energy: 1.990 local terms energy: -479.736290 where: bonds (distance) C4'-P energy: -110.496 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -67.889 tors. eta vs tors. theta energy: -75.283 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: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -793.633365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.633365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.633365 (E_RNA) where: Base-Base interactions energy: -386.041 where: short stacking energy: -238.231 Base-Backbone interact. energy: -1.032 local terms energy: -406.561146 where: bonds (distance) C4'-P energy: -123.939 bonds (distance) P-C4' energy: -100.941 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -20.457 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: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2519.297613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.297613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.297613 (E_RNA) where: Base-Base interactions energy: -1779.905 where: short stacking energy: -761.910 Base-Backbone interact. energy: -0.185 local terms energy: -739.208374 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -91.696 tors. eta vs tors. theta energy: -212.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2473.981032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.981032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.981032 (E_RNA) where: Base-Base interactions energy: -1735.626 where: short stacking energy: -785.754 Base-Backbone interact. energy: 0.208 local terms energy: -738.562967 where: bonds (distance) C4'-P energy: -113.523 bonds (distance) P-C4' energy: -131.119 flat angles C4'-P-C4' energy: -159.011 flat angles P-C4'-P energy: -114.445 tors. eta vs tors. theta energy: -220.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2331.939733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.939733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.939733 (E_RNA) where: Base-Base interactions energy: -1621.409 where: short stacking energy: -672.672 Base-Backbone interact. energy: -4.263 local terms energy: -706.268011 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -141.070 flat angles C4'-P-C4' energy: -141.523 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -193.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2228.854710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.854710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.854710 (E_RNA) where: Base-Base interactions energy: -1571.505 where: short stacking energy: -694.110 Base-Backbone interact. energy: 3.533 local terms energy: -660.882490 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -117.442 flat angles C4'-P-C4' energy: -141.924 flat angles P-C4'-P energy: -98.312 tors. eta vs tors. theta energy: -191.479 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2031.827557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.827557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.827557 (E_RNA) where: Base-Base interactions energy: -1421.123 where: short stacking energy: -619.521 Base-Backbone interact. energy: -0.447 local terms energy: -610.258064 where: bonds (distance) C4'-P energy: -108.709 bonds (distance) P-C4' energy: -110.218 flat angles C4'-P-C4' energy: -138.860 flat angles P-C4'-P energy: -93.221 tors. eta vs tors. theta energy: -159.249 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: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2028.965154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.965154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.965154 (E_RNA) where: Base-Base interactions energy: -1383.975 where: short stacking energy: -626.588 Base-Backbone interact. energy: 2.805 local terms energy: -647.795497 where: bonds (distance) C4'-P energy: -126.460 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -148.526 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -174.776 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1914.160860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.160860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.160860 (E_RNA) where: Base-Base interactions energy: -1334.739 where: short stacking energy: -570.868 Base-Backbone interact. energy: 0.022 local terms energy: -579.444486 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -128.451 flat angles C4'-P-C4' energy: -121.867 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -151.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1724.282070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.282070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.282070 (E_RNA) where: Base-Base interactions energy: -1154.247 where: short stacking energy: -485.781 Base-Backbone interact. energy: -3.481 local terms energy: -566.554517 where: bonds (distance) C4'-P energy: -109.124 bonds (distance) P-C4' energy: -133.001 flat angles C4'-P-C4' energy: -148.949 flat angles P-C4'-P energy: -66.245 tors. eta vs tors. theta energy: -109.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1444.771018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.771018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.771018 (E_RNA) where: Base-Base interactions energy: -986.885 where: short stacking energy: -435.480 Base-Backbone interact. energy: -2.900 local terms energy: -454.986172 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -124.063 flat angles C4'-P-C4' energy: -95.444 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -74.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -908.692747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.692747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.692747 (E_RNA) where: Base-Base interactions energy: -515.725 where: short stacking energy: -258.260 Base-Backbone interact. energy: -2.731 local terms energy: -390.237215 where: bonds (distance) C4'-P energy: -84.665 bonds (distance) P-C4' energy: -126.455 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -62.655 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: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2501.110408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.110408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.110408 (E_RNA) where: Base-Base interactions energy: -1766.058 where: short stacking energy: -728.258 Base-Backbone interact. energy: -2.514 local terms energy: -732.539117 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -136.570 flat angles C4'-P-C4' energy: -160.488 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -204.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2496.023871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.023871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.023871 (E_RNA) where: Base-Base interactions energy: -1739.812 where: short stacking energy: -769.892 Base-Backbone interact. energy: -5.196 local terms energy: -751.016715 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -135.556 flat angles C4'-P-C4' energy: -160.135 flat angles P-C4'-P energy: -123.905 tors. eta vs tors. theta energy: -208.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2318.581576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.581576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.581576 (E_RNA) where: Base-Base interactions energy: -1630.023 where: short stacking energy: -662.852 Base-Backbone interact. energy: -5.056 local terms energy: -683.502671 where: bonds (distance) C4'-P energy: -138.936 bonds (distance) P-C4' energy: -105.230 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -96.621 tors. eta vs tors. theta energy: -194.330 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: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2228.880784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.880784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.880784 (E_RNA) where: Base-Base interactions energy: -1564.768 where: short stacking energy: -672.539 Base-Backbone interact. energy: 1.941 local terms energy: -666.054374 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -111.444 flat angles C4'-P-C4' energy: -145.141 flat angles P-C4'-P energy: -98.921 tors. eta vs tors. theta energy: -184.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2067.059159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.059159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.059159 (E_RNA) where: Base-Base interactions energy: -1418.052 where: short stacking energy: -596.195 Base-Backbone interact. energy: -1.077 local terms energy: -647.929768 where: bonds (distance) C4'-P energy: -121.292 bonds (distance) P-C4' energy: -126.561 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -161.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2011.324431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.324431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.324431 (E_RNA) where: Base-Base interactions energy: -1410.016 where: short stacking energy: -632.056 Base-Backbone interact. energy: -2.078 local terms energy: -599.230079 where: bonds (distance) C4'-P energy: -125.083 bonds (distance) P-C4' energy: -106.110 flat angles C4'-P-C4' energy: -135.347 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -148.011 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: 297 Temperature: 1.200000 Total energy: -1925.507879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.507879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.507879 (E_RNA) where: Base-Base interactions energy: -1336.772 where: short stacking energy: -574.899 Base-Backbone interact. energy: -0.843 local terms energy: -587.892932 where: bonds (distance) C4'-P energy: -112.721 bonds (distance) P-C4' energy: -116.195 flat angles C4'-P-C4' energy: -132.866 flat angles P-C4'-P energy: -78.788 tors. eta vs tors. theta energy: -147.323 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: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1722.538199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.538199 (E_RNA) where: Base-Base interactions energy: -1202.782 where: short stacking energy: -502.501 Base-Backbone interact. energy: -2.333 local terms energy: -517.423154 where: bonds (distance) C4'-P energy: -115.224 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -106.341 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: -90.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1447.031898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.031898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.031898 (E_RNA) where: Base-Base interactions energy: -965.657 where: short stacking energy: -422.980 Base-Backbone interact. energy: 0.715 local terms energy: -482.089411 where: bonds (distance) C4'-P energy: -93.410 bonds (distance) P-C4' energy: -112.243 flat angles C4'-P-C4' energy: -116.485 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -80.484 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: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -927.765784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.765784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.765784 (E_RNA) where: Base-Base interactions energy: -535.275 where: short stacking energy: -274.303 Base-Backbone interact. energy: -0.760 local terms energy: -391.730973 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -109.556 flat angles C4'-P-C4' energy: -110.033 flat angles P-C4'-P energy: -58.068 tors. eta vs tors. theta energy: -15.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2506.962518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.962518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.962518 (E_RNA) where: Base-Base interactions energy: -1757.537 where: short stacking energy: -735.834 Base-Backbone interact. energy: -2.344 local terms energy: -747.246813 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -136.898 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -110.696 tors. eta vs tors. theta energy: -200.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.165 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2488.785564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.785564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.785564 (E_RNA) where: Base-Base interactions energy: -1748.993 where: short stacking energy: -757.550 Base-Backbone interact. energy: -0.813 local terms energy: -738.979777 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -141.322 flat angles C4'-P-C4' energy: -150.145 flat angles P-C4'-P energy: -101.723 tors. eta vs tors. theta energy: -210.060 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: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2319.808446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.808446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.808446 (E_RNA) where: Base-Base interactions energy: -1601.739 where: short stacking energy: -678.693 Base-Backbone interact. energy: -4.316 local terms energy: -713.754413 where: bonds (distance) C4'-P energy: -117.862 bonds (distance) P-C4' energy: -122.366 flat angles C4'-P-C4' energy: -156.335 flat angles P-C4'-P energy: -110.162 tors. eta vs tors. theta energy: -207.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2229.724471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.724471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.724471 (E_RNA) where: Base-Base interactions energy: -1562.267 where: short stacking energy: -684.079 Base-Backbone interact. energy: -1.459 local terms energy: -665.998538 where: bonds (distance) C4'-P energy: -119.084 bonds (distance) P-C4' energy: -120.857 flat angles C4'-P-C4' energy: -153.574 flat angles P-C4'-P energy: -84.370 tors. eta vs tors. theta energy: -188.113 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: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2072.471119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.471119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.471119 (E_RNA) where: Base-Base interactions energy: -1441.049 where: short stacking energy: -602.953 Base-Backbone interact. energy: -0.929 local terms energy: -630.493009 where: bonds (distance) C4'-P energy: -121.673 bonds (distance) P-C4' energy: -135.109 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -83.483 tors. eta vs tors. theta energy: -155.809 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: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2038.334236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.334236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.334236 (E_RNA) where: Base-Base interactions energy: -1426.332 where: short stacking energy: -624.002 Base-Backbone interact. energy: 0.655 local terms energy: -612.656860 where: bonds (distance) C4'-P energy: -117.199 bonds (distance) P-C4' energy: -104.595 flat angles C4'-P-C4' energy: -126.604 flat angles P-C4'-P energy: -89.887 tors. eta vs tors. theta energy: -174.371 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: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1931.519933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.519933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.519933 (E_RNA) where: Base-Base interactions energy: -1364.045 where: short stacking energy: -593.259 Base-Backbone interact. energy: -2.834 local terms energy: -564.641079 where: bonds (distance) C4'-P energy: -103.634 bonds (distance) P-C4' energy: -126.986 flat angles C4'-P-C4' energy: -129.870 flat angles P-C4'-P energy: -55.450 tors. eta vs tors. theta energy: -148.701 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1726.168024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.168024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.168024 (E_RNA) where: Base-Base interactions energy: -1202.528 where: short stacking energy: -509.617 Base-Backbone interact. energy: -1.109 local terms energy: -522.530342 where: bonds (distance) C4'-P energy: -109.712 bonds (distance) P-C4' energy: -106.858 flat angles C4'-P-C4' energy: -120.299 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -114.575 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1430.248706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.248706 (E_RNA) where: Base-Base interactions energy: -920.010 where: short stacking energy: -431.375 Base-Backbone interact. energy: -1.481 local terms energy: -508.757223 where: bonds (distance) C4'-P energy: -107.919 bonds (distance) P-C4' energy: -122.232 flat angles C4'-P-C4' energy: -123.004 flat angles P-C4'-P energy: -57.446 tors. eta vs tors. theta energy: -98.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -916.598339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.598339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.598339 (E_RNA) where: Base-Base interactions energy: -524.660 where: short stacking energy: -249.888 Base-Backbone interact. energy: -0.942 local terms energy: -390.996747 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -104.517 flat angles C4'-P-C4' energy: -104.657 flat angles P-C4'-P energy: -67.924 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2548.475456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.475456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.475456 (E_RNA) where: Base-Base interactions energy: -1799.623 where: short stacking energy: -760.687 Base-Backbone interact. energy: -3.573 local terms energy: -745.279573 where: bonds (distance) C4'-P energy: -140.912 bonds (distance) P-C4' energy: -121.792 flat angles C4'-P-C4' energy: -164.108 flat angles P-C4'-P energy: -114.172 tors. eta vs tors. theta energy: -204.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2479.418208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.418208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.418208 (E_RNA) where: Base-Base interactions energy: -1747.678 where: short stacking energy: -781.150 Base-Backbone interact. energy: 6.911 local terms energy: -738.651219 where: bonds (distance) C4'-P energy: -126.325 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -157.596 flat angles P-C4'-P energy: -110.410 tors. eta vs tors. theta energy: -210.730 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: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2325.810587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.810587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.810587 (E_RNA) where: Base-Base interactions energy: -1627.214 where: short stacking energy: -699.062 Base-Backbone interact. energy: -2.287 local terms energy: -696.310357 where: bonds (distance) C4'-P energy: -126.803 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -159.304 flat angles P-C4'-P energy: -96.501 tors. eta vs tors. theta energy: -204.280 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: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2194.400827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.400827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.400827 (E_RNA) where: Base-Base interactions energy: -1508.336 where: short stacking energy: -638.280 Base-Backbone interact. energy: -1.932 local terms energy: -684.132689 where: bonds (distance) C4'-P energy: -132.216 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -141.377 flat angles P-C4'-P energy: -96.527 tors. eta vs tors. theta energy: -180.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2113.731608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.731608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.731608 (E_RNA) where: Base-Base interactions energy: -1476.658 where: short stacking energy: -619.525 Base-Backbone interact. energy: -3.538 local terms energy: -633.536237 where: bonds (distance) C4'-P energy: -126.023 bonds (distance) P-C4' energy: -116.164 flat angles C4'-P-C4' energy: -136.190 flat angles P-C4'-P energy: -83.696 tors. eta vs tors. theta energy: -171.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2066.569338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.569338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.569338 (E_RNA) where: Base-Base interactions energy: -1430.032 where: short stacking energy: -631.098 Base-Backbone interact. energy: -2.004 local terms energy: -634.532639 where: bonds (distance) C4'-P energy: -123.277 bonds (distance) P-C4' energy: -115.593 flat angles C4'-P-C4' energy: -131.834 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -172.363 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: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1901.560563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.560563 (E_RNA) where: Base-Base interactions energy: -1333.269 where: short stacking energy: -558.132 Base-Backbone interact. energy: -5.665 local terms energy: -562.626220 where: bonds (distance) C4'-P energy: -98.880 bonds (distance) P-C4' energy: -116.528 flat angles C4'-P-C4' energy: -131.035 flat angles P-C4'-P energy: -71.913 tors. eta vs tors. theta energy: -144.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1728.766774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.766774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.766774 (E_RNA) where: Base-Base interactions energy: -1154.990 where: short stacking energy: -482.168 Base-Backbone interact. energy: 4.592 local terms energy: -578.367951 where: bonds (distance) C4'-P energy: -132.252 bonds (distance) P-C4' energy: -122.907 flat angles C4'-P-C4' energy: -137.954 flat angles P-C4'-P energy: -73.189 tors. eta vs tors. theta energy: -112.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1470.541577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.541577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.541577 (E_RNA) where: Base-Base interactions energy: -972.025 where: short stacking energy: -446.342 Base-Backbone interact. energy: 2.851 local terms energy: -501.367343 where: bonds (distance) C4'-P energy: -106.939 bonds (distance) P-C4' energy: -118.885 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -65.683 tors. eta vs tors. theta energy: -92.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -981.499037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.499037 (E_RNA) where: Base-Base interactions energy: -580.713 where: short stacking energy: -290.686 Base-Backbone interact. energy: -2.748 local terms energy: -398.038500 where: bonds (distance) C4'-P energy: -110.120 bonds (distance) P-C4' energy: -104.709 flat angles C4'-P-C4' energy: -108.068 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: -28.764 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: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2465.190290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.190290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.190290 (E_RNA) where: Base-Base interactions energy: -1719.074 where: short stacking energy: -732.925 Base-Backbone interact. energy: -1.180 local terms energy: -744.937204 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -138.642 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -108.646 tors. eta vs tors. theta energy: -205.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2455.210681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.210681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.210681 (E_RNA) where: Base-Base interactions energy: -1705.988 where: short stacking energy: -761.019 Base-Backbone interact. energy: -0.351 local terms energy: -748.871905 where: bonds (distance) C4'-P energy: -134.605 bonds (distance) P-C4' energy: -135.762 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -103.527 tors. eta vs tors. theta energy: -215.126 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: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2296.541330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.541330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.541330 (E_RNA) where: Base-Base interactions energy: -1589.810 where: short stacking energy: -701.913 Base-Backbone interact. energy: -2.660 local terms energy: -704.071658 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -136.823 flat angles C4'-P-C4' energy: -159.861 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -196.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2196.943669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.943669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.943669 (E_RNA) where: Base-Base interactions energy: -1521.004 where: short stacking energy: -656.593 Base-Backbone interact. energy: -3.255 local terms energy: -672.685050 where: bonds (distance) C4'-P energy: -131.639 bonds (distance) P-C4' energy: -129.441 flat angles C4'-P-C4' energy: -134.414 flat angles P-C4'-P energy: -94.595 tors. eta vs tors. theta energy: -182.596 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: 300 Temperature: 1.100000 Total energy: -2143.259844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.259844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.259844 (E_RNA) where: Base-Base interactions energy: -1468.688 where: short stacking energy: -651.452 Base-Backbone interact. energy: -0.982 local terms energy: -673.589583 where: bonds (distance) C4'-P energy: -121.837 bonds (distance) P-C4' energy: -119.837 flat angles C4'-P-C4' energy: -145.178 flat angles P-C4'-P energy: -97.618 tors. eta vs tors. theta energy: -189.119 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: 300 Temperature: 1.150000 Total energy: -1971.176378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.176378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.176378 (E_RNA) where: Base-Base interactions energy: -1394.828 where: short stacking energy: -600.827 Base-Backbone interact. energy: -2.410 local terms energy: -573.938781 where: bonds (distance) C4'-P energy: -107.286 bonds (distance) P-C4' energy: -113.858 flat angles C4'-P-C4' energy: -118.684 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -144.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1913.065965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.065965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.065965 (E_RNA) where: Base-Base interactions energy: -1369.992 where: short stacking energy: -567.591 Base-Backbone interact. energy: -2.008 local terms energy: -541.066621 where: bonds (distance) C4'-P energy: -102.209 bonds (distance) P-C4' energy: -105.501 flat angles C4'-P-C4' energy: -109.166 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -143.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1764.337109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.337109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.337109 (E_RNA) where: Base-Base interactions energy: -1203.500 where: short stacking energy: -513.240 Base-Backbone interact. energy: 3.995 local terms energy: -564.831605 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -121.027 flat angles C4'-P-C4' energy: -126.129 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -130.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1392.632621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.632621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.632621 (E_RNA) where: Base-Base interactions energy: -895.440 where: short stacking energy: -403.655 Base-Backbone interact. energy: -2.082 local terms energy: -495.110340 where: bonds (distance) C4'-P energy: -120.995 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -107.064 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: -79.153 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -952.358960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.358960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.358960 (E_RNA) where: Base-Base interactions energy: -533.854 where: short stacking energy: -248.198 Base-Backbone interact. energy: -1.125 local terms energy: -417.380158 where: bonds (distance) C4'-P energy: -119.813 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -100.242 flat angles P-C4'-P energy: -78.143 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: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2502.445726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.445726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.445726 (E_RNA) where: Base-Base interactions energy: -1767.286 where: short stacking energy: -727.875 Base-Backbone interact. energy: -2.361 local terms energy: -732.799441 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -133.154 flat angles C4'-P-C4' energy: -168.614 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -194.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2444.445464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.445464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.445464 (E_RNA) where: Base-Base interactions energy: -1702.770 where: short stacking energy: -744.484 Base-Backbone interact. energy: -3.520 local terms energy: -738.154950 where: bonds (distance) C4'-P energy: -129.836 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -154.859 flat angles P-C4'-P energy: -96.244 tors. eta vs tors. theta energy: -208.556 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: 3, replica: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2323.009356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.009356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.009356 (E_RNA) where: Base-Base interactions energy: -1600.897 where: short stacking energy: -698.170 Base-Backbone interact. energy: -4.128 local terms energy: -717.984833 where: bonds (distance) C4'-P energy: -130.772 bonds (distance) P-C4' energy: -132.813 flat angles C4'-P-C4' energy: -150.479 flat angles P-C4'-P energy: -106.425 tors. eta vs tors. theta energy: -197.495 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: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2206.261887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.261887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.261887 (E_RNA) where: Base-Base interactions energy: -1504.646 where: short stacking energy: -673.366 Base-Backbone interact. energy: -1.953 local terms energy: -700.142031 where: bonds (distance) C4'-P energy: -134.928 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -104.857 tors. eta vs tors. theta energy: -199.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.480 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2105.086102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.086102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.086102 (E_RNA) where: Base-Base interactions energy: -1445.223 where: short stacking energy: -628.831 Base-Backbone interact. energy: -2.384 local terms energy: -657.479353 where: bonds (distance) C4'-P energy: -107.045 bonds (distance) P-C4' energy: -126.992 flat angles C4'-P-C4' energy: -151.543 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -171.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1978.929297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.929297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.929297 (E_RNA) where: Base-Base interactions energy: -1383.302 where: short stacking energy: -581.662 Base-Backbone interact. energy: -2.511 local terms energy: -593.115846 where: bonds (distance) C4'-P energy: -112.293 bonds (distance) P-C4' energy: -120.136 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -141.661 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: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1915.880920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.880920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.880920 (E_RNA) where: Base-Base interactions energy: -1364.503 where: short stacking energy: -543.124 Base-Backbone interact. energy: 2.058 local terms energy: -553.436653 where: bonds (distance) C4'-P energy: -114.079 bonds (distance) P-C4' energy: -108.775 flat angles C4'-P-C4' energy: -105.279 flat angles P-C4'-P energy: -88.225 tors. eta vs tors. theta energy: -137.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1757.936050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.936050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.936050 (E_RNA) where: Base-Base interactions energy: -1209.054 where: short stacking energy: -536.793 Base-Backbone interact. energy: -0.545 local terms energy: -548.336836 where: bonds (distance) C4'-P energy: -89.159 bonds (distance) P-C4' energy: -122.556 flat angles C4'-P-C4' energy: -141.446 flat angles P-C4'-P energy: -69.420 tors. eta vs tors. theta energy: -125.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1383.074171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.074171 (E_RNA) where: Base-Base interactions energy: -902.546 where: short stacking energy: -406.044 Base-Backbone interact. energy: -0.090 local terms energy: -480.438285 where: bonds (distance) C4'-P energy: -93.235 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -78.016 tors. eta vs tors. theta energy: -81.870 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -948.887636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.887636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.887636 (E_RNA) where: Base-Base interactions energy: -526.981 where: short stacking energy: -269.562 Base-Backbone interact. energy: -1.476 local terms energy: -420.430052 where: bonds (distance) C4'-P energy: -106.963 bonds (distance) P-C4' energy: -133.888 flat angles C4'-P-C4' energy: -94.118 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2532.066028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.066028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.066028 (E_RNA) where: Base-Base interactions energy: -1791.887 where: short stacking energy: -730.207 Base-Backbone interact. energy: -0.849 local terms energy: -739.330679 where: bonds (distance) C4'-P energy: -134.865 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -160.919 flat angles P-C4'-P energy: -105.105 tors. eta vs tors. theta energy: -191.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2455.162647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.162647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.162647 (E_RNA) where: Base-Base interactions energy: -1727.708 where: short stacking energy: -756.841 Base-Backbone interact. energy: -4.936 local terms energy: -722.518379 where: bonds (distance) C4'-P energy: -134.188 bonds (distance) P-C4' energy: -128.597 flat angles C4'-P-C4' energy: -149.621 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -202.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2339.658863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.658863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.658863 (E_RNA) where: Base-Base interactions energy: -1634.569 where: short stacking energy: -708.855 Base-Backbone interact. energy: -0.665 local terms energy: -704.425337 where: bonds (distance) C4'-P energy: -120.686 bonds (distance) P-C4' energy: -133.786 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -107.965 tors. eta vs tors. theta energy: -193.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2208.138465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.138465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.138465 (E_RNA) where: Base-Base interactions energy: -1541.239 where: short stacking energy: -684.466 Base-Backbone interact. energy: -1.764 local terms energy: -665.136074 where: bonds (distance) C4'-P energy: -115.318 bonds (distance) P-C4' energy: -128.007 flat angles C4'-P-C4' energy: -143.778 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -181.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2146.232533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.232533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.232533 (E_RNA) where: Base-Base interactions energy: -1476.261 where: short stacking energy: -665.283 Base-Backbone interact. energy: -0.914 local terms energy: -669.056849 where: bonds (distance) C4'-P energy: -120.415 bonds (distance) P-C4' energy: -136.582 flat angles C4'-P-C4' energy: -136.256 flat angles P-C4'-P energy: -93.353 tors. eta vs tors. theta energy: -182.451 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: 302 Temperature: 1.150000 Total energy: -1981.586367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.586367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.586367 (E_RNA) where: Base-Base interactions energy: -1411.764 where: short stacking energy: -603.043 Base-Backbone interact. energy: -3.252 local terms energy: -566.570380 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -126.808 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -139.721 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: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1876.707075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.707075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.707075 (E_RNA) where: Base-Base interactions energy: -1274.922 where: short stacking energy: -541.021 Base-Backbone interact. energy: -3.068 local terms energy: -598.717655 where: bonds (distance) C4'-P energy: -120.060 bonds (distance) P-C4' energy: -125.898 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -137.622 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: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1727.827488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.827488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.827488 (E_RNA) where: Base-Base interactions energy: -1195.356 where: short stacking energy: -488.379 Base-Backbone interact. energy: -2.514 local terms energy: -529.957590 where: bonds (distance) C4'-P energy: -107.490 bonds (distance) P-C4' energy: -110.767 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -74.992 tors. eta vs tors. theta energy: -119.609 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: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1408.713519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.713519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.713519 (E_RNA) where: Base-Base interactions energy: -945.177 where: short stacking energy: -422.820 Base-Backbone interact. energy: -2.283 local terms energy: -461.254441 where: bonds (distance) C4'-P energy: -89.072 bonds (distance) P-C4' energy: -104.326 flat angles C4'-P-C4' energy: -107.777 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -86.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -945.621160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.621160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.621160 (E_RNA) where: Base-Base interactions energy: -514.466 where: short stacking energy: -291.410 Base-Backbone interact. energy: -4.341 local terms energy: -426.813778 where: bonds (distance) C4'-P energy: -107.425 bonds (distance) P-C4' energy: -97.835 flat angles C4'-P-C4' energy: -127.847 flat angles P-C4'-P energy: -76.568 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2518.700935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.700935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.700935 (E_RNA) where: Base-Base interactions energy: -1788.506 where: short stacking energy: -719.442 Base-Backbone interact. energy: -3.533 local terms energy: -726.661437 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -138.073 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -195.488 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: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2468.900248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.900248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.900248 (E_RNA) where: Base-Base interactions energy: -1697.207 where: short stacking energy: -755.054 Base-Backbone interact. energy: -4.536 local terms energy: -767.157693 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -126.700 tors. eta vs tors. theta energy: -219.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2318.136283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.136283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.136283 (E_RNA) where: Base-Base interactions energy: -1616.474 where: short stacking energy: -675.761 Base-Backbone interact. energy: -2.688 local terms energy: -698.975017 where: bonds (distance) C4'-P energy: -133.615 bonds (distance) P-C4' energy: -121.691 flat angles C4'-P-C4' energy: -150.211 flat angles P-C4'-P energy: -98.673 tors. eta vs tors. theta energy: -194.785 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: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2262.761484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.761484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.761484 (E_RNA) where: Base-Base interactions energy: -1572.268 where: short stacking energy: -705.242 Base-Backbone interact. energy: -2.566 local terms energy: -687.928019 where: bonds (distance) C4'-P energy: -116.191 bonds (distance) P-C4' energy: -134.390 flat angles C4'-P-C4' energy: -148.838 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -193.257 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: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2136.696203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.696203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.696203 (E_RNA) where: Base-Base interactions energy: -1469.547 where: short stacking energy: -633.339 Base-Backbone interact. energy: -1.211 local terms energy: -665.938384 where: bonds (distance) C4'-P energy: -120.984 bonds (distance) P-C4' energy: -129.459 flat angles C4'-P-C4' energy: -150.815 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -179.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1922.921662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.921662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.921662 (E_RNA) where: Base-Base interactions energy: -1322.333 where: short stacking energy: -558.047 Base-Backbone interact. energy: 0.226 local terms energy: -600.814847 where: bonds (distance) C4'-P energy: -109.477 bonds (distance) P-C4' energy: -129.695 flat angles C4'-P-C4' energy: -135.765 flat angles P-C4'-P energy: -71.855 tors. eta vs tors. theta energy: -154.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1852.470780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.470780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.470780 (E_RNA) where: Base-Base interactions energy: -1301.597 where: short stacking energy: -527.008 Base-Backbone interact. energy: -0.162 local terms energy: -550.711414 where: bonds (distance) C4'-P energy: -101.734 bonds (distance) P-C4' energy: -137.852 flat angles C4'-P-C4' energy: -131.957 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -116.920 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: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1742.242776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.242776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.242776 (E_RNA) where: Base-Base interactions energy: -1205.578 where: short stacking energy: -524.384 Base-Backbone interact. energy: 0.785 local terms energy: -537.450147 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -128.473 flat angles P-C4'-P energy: -59.950 tors. eta vs tors. theta energy: -120.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1444.431535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.431535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.431535 (E_RNA) where: Base-Base interactions energy: -993.838 where: short stacking energy: -437.067 Base-Backbone interact. energy: -2.070 local terms energy: -448.523968 where: bonds (distance) C4'-P energy: -101.550 bonds (distance) P-C4' energy: -97.944 flat angles C4'-P-C4' energy: -102.152 flat angles P-C4'-P energy: -77.397 tors. eta vs tors. theta energy: -69.481 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: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1011.738942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.738942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.738942 (E_RNA) where: Base-Base interactions energy: -616.021 where: short stacking energy: -296.613 Base-Backbone interact. energy: 3.331 local terms energy: -399.048572 where: bonds (distance) C4'-P energy: -110.512 bonds (distance) P-C4' energy: -100.787 flat angles C4'-P-C4' energy: -110.753 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -23.125 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: 304 Temperature: 0.900000 Total energy: -2525.889542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.889542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.889542 (E_RNA) where: Base-Base interactions energy: -1809.405 where: short stacking energy: -714.918 Base-Backbone interact. energy: 1.138 local terms energy: -717.622486 where: bonds (distance) C4'-P energy: -126.371 bonds (distance) P-C4' energy: -134.062 flat angles C4'-P-C4' energy: -160.646 flat angles P-C4'-P energy: -105.742 tors. eta vs tors. theta energy: -190.801 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: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2510.170387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.170387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.170387 (E_RNA) where: Base-Base interactions energy: -1777.659 where: short stacking energy: -780.524 Base-Backbone interact. energy: -3.917 local terms energy: -728.594674 where: bonds (distance) C4'-P energy: -123.277 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -154.582 flat angles P-C4'-P energy: -106.654 tors. eta vs tors. theta energy: -207.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2323.228211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.228211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.228211 (E_RNA) where: Base-Base interactions energy: -1620.224 where: short stacking energy: -680.168 Base-Backbone interact. energy: -1.171 local terms energy: -701.833027 where: bonds (distance) C4'-P energy: -118.716 bonds (distance) P-C4' energy: -140.572 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -98.923 tors. eta vs tors. theta energy: -190.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2236.675342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.675342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.675342 (E_RNA) where: Base-Base interactions energy: -1570.030 where: short stacking energy: -658.608 Base-Backbone interact. energy: -5.655 local terms energy: -660.991001 where: bonds (distance) C4'-P energy: -126.773 bonds (distance) P-C4' energy: -111.953 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -187.619 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: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2139.889597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.889597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.889597 (E_RNA) where: Base-Base interactions energy: -1472.026 where: short stacking energy: -657.220 Base-Backbone interact. energy: 0.597 local terms energy: -668.460624 where: bonds (distance) C4'-P energy: -135.276 bonds (distance) P-C4' energy: -119.644 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -90.100 tors. eta vs tors. theta energy: -185.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1994.507440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.507440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.507440 (E_RNA) where: Base-Base interactions energy: -1394.465 where: short stacking energy: -598.977 Base-Backbone interact. energy: 1.274 local terms energy: -601.316484 where: bonds (distance) C4'-P energy: -107.913 bonds (distance) P-C4' energy: -104.350 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -84.806 tors. eta vs tors. theta energy: -162.859 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: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1881.772997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.772997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.772997 (E_RNA) where: Base-Base interactions energy: -1319.226 where: short stacking energy: -572.578 Base-Backbone interact. energy: 0.792 local terms energy: -563.339209 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -127.078 flat angles P-C4'-P energy: -86.546 tors. eta vs tors. theta energy: -137.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1776.594407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.594407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.594407 (E_RNA) where: Base-Base interactions energy: -1222.800 where: short stacking energy: -550.894 Base-Backbone interact. energy: -3.004 local terms energy: -550.789837 where: bonds (distance) C4'-P energy: -98.582 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -123.522 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -129.645 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: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1435.913795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.913795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.913795 (E_RNA) where: Base-Base interactions energy: -951.066 where: short stacking energy: -401.600 Base-Backbone interact. energy: 1.049 local terms energy: -485.896589 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -120.580 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -72.787 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: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1002.713804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.713804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.713804 (E_RNA) where: Base-Base interactions energy: -609.427 where: short stacking energy: -272.883 Base-Backbone interact. energy: -0.864 local terms energy: -392.423272 where: bonds (distance) C4'-P energy: -112.889 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -107.226 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: -19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2536.784519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.784519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.784519 (E_RNA) where: Base-Base interactions energy: -1787.753 where: short stacking energy: -736.237 Base-Backbone interact. energy: -4.166 local terms energy: -744.865709 where: bonds (distance) C4'-P energy: -133.875 bonds (distance) P-C4' energy: -129.397 flat angles C4'-P-C4' energy: -162.254 flat angles P-C4'-P energy: -123.886 tors. eta vs tors. theta energy: -195.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2477.449034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.449034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.449034 (E_RNA) where: Base-Base interactions energy: -1738.119 where: short stacking energy: -762.010 Base-Backbone interact. energy: -3.502 local terms energy: -735.828120 where: bonds (distance) C4'-P energy: -125.961 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -149.337 flat angles P-C4'-P energy: -111.744 tors. eta vs tors. theta energy: -203.949 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: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2344.794399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.794399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.794399 (E_RNA) where: Base-Base interactions energy: -1649.032 where: short stacking energy: -713.248 Base-Backbone interact. energy: -0.354 local terms energy: -695.409284 where: bonds (distance) C4'-P energy: -114.804 bonds (distance) P-C4' energy: -131.671 flat angles C4'-P-C4' energy: -153.174 flat angles P-C4'-P energy: -96.176 tors. eta vs tors. theta energy: -199.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2205.310711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.310711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.310711 (E_RNA) where: Base-Base interactions energy: -1526.702 where: short stacking energy: -648.857 Base-Backbone interact. energy: -0.398 local terms energy: -678.210145 where: bonds (distance) C4'-P energy: -124.516 bonds (distance) P-C4' energy: -124.701 flat angles C4'-P-C4' energy: -147.259 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -175.916 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: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2097.284839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.284839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.284839 (E_RNA) where: Base-Base interactions energy: -1447.083 where: short stacking energy: -636.057 Base-Backbone interact. energy: -2.804 local terms energy: -647.397728 where: bonds (distance) C4'-P energy: -127.456 bonds (distance) P-C4' energy: -127.779 flat angles C4'-P-C4' energy: -127.152 flat angles P-C4'-P energy: -92.489 tors. eta vs tors. theta energy: -172.522 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: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1997.247861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.247861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.247861 (E_RNA) where: Base-Base interactions energy: -1355.116 where: short stacking energy: -594.961 Base-Backbone interact. energy: -3.893 local terms energy: -638.239238 where: bonds (distance) C4'-P energy: -123.455 bonds (distance) P-C4' energy: -119.985 flat angles C4'-P-C4' energy: -138.218 flat angles P-C4'-P energy: -84.765 tors. eta vs tors. theta energy: -171.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1869.499404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.499404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.499404 (E_RNA) where: Base-Base interactions energy: -1283.959 where: short stacking energy: -550.714 Base-Backbone interact. energy: -0.365 local terms energy: -585.175336 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -138.576 flat angles P-C4'-P energy: -90.914 tors. eta vs tors. theta energy: -144.353 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1749.993938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.993938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.993938 (E_RNA) where: Base-Base interactions energy: -1195.005 where: short stacking energy: -512.966 Base-Backbone interact. energy: -1.765 local terms energy: -553.223769 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -117.826 flat angles C4'-P-C4' energy: -122.271 flat angles P-C4'-P energy: -63.650 tors. eta vs tors. theta energy: -120.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1472.052694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.052694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.052694 (E_RNA) where: Base-Base interactions energy: -963.957 where: short stacking energy: -449.982 Base-Backbone interact. energy: -1.680 local terms energy: -506.415197 where: bonds (distance) C4'-P energy: -110.285 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -123.300 flat angles P-C4'-P energy: -74.510 tors. eta vs tors. theta energy: -95.996 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -934.563450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.563450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.563450 (E_RNA) where: Base-Base interactions energy: -545.468 where: short stacking energy: -287.782 Base-Backbone interact. energy: 3.099 local terms energy: -392.194082 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -111.991 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -54.213 tors. eta vs tors. theta energy: -28.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2536.785309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.785309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.785309 (E_RNA) where: Base-Base interactions energy: -1817.276 where: short stacking energy: -725.505 Base-Backbone interact. energy: 1.319 local terms energy: -720.828383 where: bonds (distance) C4'-P energy: -134.508 bonds (distance) P-C4' energy: -134.284 flat angles C4'-P-C4' energy: -158.149 flat angles P-C4'-P energy: -100.948 tors. eta vs tors. theta energy: -192.939 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: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2489.817066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.817066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.817066 (E_RNA) where: Base-Base interactions energy: -1726.146 where: short stacking energy: -771.050 Base-Backbone interact. energy: -4.484 local terms energy: -759.186460 where: bonds (distance) C4'-P energy: -129.330 bonds (distance) P-C4' energy: -150.399 flat angles C4'-P-C4' energy: -156.541 flat angles P-C4'-P energy: -103.201 tors. eta vs tors. theta energy: -219.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2341.362154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.362154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.362154 (E_RNA) where: Base-Base interactions energy: -1599.813 where: short stacking energy: -712.663 Base-Backbone interact. energy: -0.824 local terms energy: -740.724755 where: bonds (distance) C4'-P energy: -134.439 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -149.977 flat angles P-C4'-P energy: -116.681 tors. eta vs tors. theta energy: -206.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2215.485164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.485164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.485164 (E_RNA) where: Base-Base interactions energy: -1530.796 where: short stacking energy: -657.665 Base-Backbone interact. energy: -2.575 local terms energy: -682.114199 where: bonds (distance) C4'-P energy: -121.790 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -145.674 flat angles P-C4'-P energy: -99.377 tors. eta vs tors. theta energy: -178.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2082.442157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.442157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.442157 (E_RNA) where: Base-Base interactions energy: -1477.999 where: short stacking energy: -642.532 Base-Backbone interact. energy: -0.617 local terms energy: -603.826344 where: bonds (distance) C4'-P energy: -112.398 bonds (distance) P-C4' energy: -106.023 flat angles C4'-P-C4' energy: -134.647 flat angles P-C4'-P energy: -79.815 tors. eta vs tors. theta energy: -170.945 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: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1994.318475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.318475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.318475 (E_RNA) where: Base-Base interactions energy: -1381.875 where: short stacking energy: -619.810 Base-Backbone interact. energy: -2.512 local terms energy: -609.930946 where: bonds (distance) C4'-P energy: -106.959 bonds (distance) P-C4' energy: -111.489 flat angles C4'-P-C4' energy: -133.296 flat angles P-C4'-P energy: -100.840 tors. eta vs tors. theta energy: -157.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1875.099662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.099662 (E_RNA) where: Base-Base interactions energy: -1319.604 where: short stacking energy: -558.465 Base-Backbone interact. energy: -2.331 local terms energy: -553.164558 where: bonds (distance) C4'-P energy: -97.108 bonds (distance) P-C4' energy: -117.013 flat angles C4'-P-C4' energy: -117.537 flat angles P-C4'-P energy: -82.624 tors. eta vs tors. theta energy: -138.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1726.474259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.474259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.474259 (E_RNA) where: Base-Base interactions energy: -1169.620 where: short stacking energy: -531.243 Base-Backbone interact. energy: 4.648 local terms energy: -561.502157 where: bonds (distance) C4'-P energy: -111.494 bonds (distance) P-C4' energy: -126.213 flat angles C4'-P-C4' energy: -134.482 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -118.262 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: 306 Temperature: 1.300000 Total energy: -1463.706110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.706110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.706110 (E_RNA) where: Base-Base interactions energy: -954.641 where: short stacking energy: -442.511 Base-Backbone interact. energy: 1.797 local terms energy: -510.862208 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -107.307 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -81.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -988.246473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.246473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.246473 (E_RNA) where: Base-Base interactions energy: -615.630 where: short stacking energy: -298.950 Base-Backbone interact. energy: -0.791 local terms energy: -371.825225 where: bonds (distance) C4'-P energy: -69.042 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -33.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2538.686312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.686312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.686312 (E_RNA) where: Base-Base interactions energy: -1795.477 where: short stacking energy: -736.286 Base-Backbone interact. energy: -1.498 local terms energy: -741.711421 where: bonds (distance) C4'-P energy: -144.561 bonds (distance) P-C4' energy: -146.750 flat angles C4'-P-C4' energy: -154.019 flat angles P-C4'-P energy: -105.381 tors. eta vs tors. theta energy: -191.000 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: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2433.387457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.387457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.387457 (E_RNA) where: Base-Base interactions energy: -1687.929 where: short stacking energy: -747.553 Base-Backbone interact. energy: -2.739 local terms energy: -742.719698 where: bonds (distance) C4'-P energy: -145.029 bonds (distance) P-C4' energy: -137.946 flat angles C4'-P-C4' energy: -148.745 flat angles P-C4'-P energy: -98.356 tors. eta vs tors. theta energy: -212.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2359.762057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.762057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.762057 (E_RNA) where: Base-Base interactions energy: -1637.543 where: short stacking energy: -702.052 Base-Backbone interact. energy: -1.494 local terms energy: -720.724936 where: bonds (distance) C4'-P energy: -126.041 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -146.683 flat angles P-C4'-P energy: -110.439 tors. eta vs tors. theta energy: -195.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2159.770966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.770966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.770966 (E_RNA) where: Base-Base interactions energy: -1493.066 where: short stacking energy: -658.830 Base-Backbone interact. energy: -2.581 local terms energy: -664.123482 where: bonds (distance) C4'-P energy: -120.840 bonds (distance) P-C4' energy: -125.942 flat angles C4'-P-C4' energy: -147.749 flat angles P-C4'-P energy: -105.478 tors. eta vs tors. theta energy: -164.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2128.180137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.180137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.180137 (E_RNA) where: Base-Base interactions energy: -1469.175 where: short stacking energy: -654.241 Base-Backbone interact. energy: -0.633 local terms energy: -658.372079 where: bonds (distance) C4'-P energy: -114.950 bonds (distance) P-C4' energy: -124.042 flat angles C4'-P-C4' energy: -147.446 flat angles P-C4'-P energy: -88.311 tors. eta vs tors. theta energy: -183.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2013.766955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.766955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.766955 (E_RNA) where: Base-Base interactions energy: -1399.125 where: short stacking energy: -596.811 Base-Backbone interact. energy: 1.338 local terms energy: -615.980383 where: bonds (distance) C4'-P energy: -106.887 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -136.405 flat angles P-C4'-P energy: -85.297 tors. eta vs tors. theta energy: -154.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1806.053323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.053323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.053323 (E_RNA) where: Base-Base interactions energy: -1231.347 where: short stacking energy: -548.501 Base-Backbone interact. energy: 1.007 local terms energy: -575.712942 where: bonds (distance) C4'-P energy: -111.043 bonds (distance) P-C4' energy: -123.870 flat angles C4'-P-C4' energy: -125.795 flat angles P-C4'-P energy: -98.040 tors. eta vs tors. theta energy: -116.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1718.399326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.399326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.399326 (E_RNA) where: Base-Base interactions energy: -1165.780 where: short stacking energy: -495.968 Base-Backbone interact. energy: -1.573 local terms energy: -551.045943 where: bonds (distance) C4'-P energy: -103.293 bonds (distance) P-C4' energy: -136.166 flat angles C4'-P-C4' energy: -132.103 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -110.653 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: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1371.997749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.997749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.997749 (E_RNA) where: Base-Base interactions energy: -888.633 where: short stacking energy: -419.176 Base-Backbone interact. energy: -1.475 local terms energy: -481.889156 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -118.826 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -82.697 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: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1017.042423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.042423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.042423 (E_RNA) where: Base-Base interactions energy: -585.131 where: short stacking energy: -267.595 Base-Backbone interact. energy: -2.959 local terms energy: -428.952286 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -125.707 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -74.375 tors. eta vs tors. theta energy: -20.301 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: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2525.585714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.585714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.585714 (E_RNA) where: Base-Base interactions energy: -1783.578 where: short stacking energy: -723.305 Base-Backbone interact. energy: -3.358 local terms energy: -738.649038 where: bonds (distance) C4'-P energy: -137.486 bonds (distance) P-C4' energy: -140.570 flat angles C4'-P-C4' energy: -150.667 flat angles P-C4'-P energy: -117.800 tors. eta vs tors. theta energy: -192.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2464.802637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.802637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.802637 (E_RNA) where: Base-Base interactions energy: -1720.019 where: short stacking energy: -771.625 Base-Backbone interact. energy: -2.129 local terms energy: -742.655513 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -134.594 flat angles C4'-P-C4' energy: -154.896 flat angles P-C4'-P energy: -111.383 tors. eta vs tors. theta energy: -212.578 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: 308 Temperature: 1.000000 Total energy: -2362.690283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.690283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.690283 (E_RNA) where: Base-Base interactions energy: -1662.825 where: short stacking energy: -709.457 Base-Backbone interact. energy: -4.001 local terms energy: -695.864657 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -129.081 flat angles C4'-P-C4' energy: -146.409 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -198.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2182.599741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.599741 (E_RNA) where: Base-Base interactions energy: -1521.717 where: short stacking energy: -677.990 Base-Backbone interact. energy: -3.900 local terms energy: -656.982501 where: bonds (distance) C4'-P energy: -114.826 bonds (distance) P-C4' energy: -121.136 flat angles C4'-P-C4' energy: -153.355 flat angles P-C4'-P energy: -92.570 tors. eta vs tors. theta energy: -175.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2107.358615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.358615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.358615 (E_RNA) where: Base-Base interactions energy: -1456.074 where: short stacking energy: -625.148 Base-Backbone interact. energy: 0.110 local terms energy: -651.394772 where: bonds (distance) C4'-P energy: -114.680 bonds (distance) P-C4' energy: -130.659 flat angles C4'-P-C4' energy: -132.356 flat angles P-C4'-P energy: -94.026 tors. eta vs tors. theta energy: -179.674 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: 308 Temperature: 1.150000 Total energy: -2047.969418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.969418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.969418 (E_RNA) where: Base-Base interactions energy: -1439.774 where: short stacking energy: -638.794 Base-Backbone interact. energy: -1.446 local terms energy: -606.749851 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -109.474 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -79.187 tors. eta vs tors. theta energy: -167.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1879.481428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.481428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.481428 (E_RNA) where: Base-Base interactions energy: -1297.949 where: short stacking energy: -554.179 Base-Backbone interact. energy: -4.872 local terms energy: -576.660393 where: bonds (distance) C4'-P energy: -113.916 bonds (distance) P-C4' energy: -116.590 flat angles C4'-P-C4' energy: -140.267 flat angles P-C4'-P energy: -88.646 tors. eta vs tors. theta energy: -117.241 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1742.398031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.398031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.398031 (E_RNA) where: Base-Base interactions energy: -1194.682 where: short stacking energy: -518.229 Base-Backbone interact. energy: 8.696 local terms energy: -556.411292 where: bonds (distance) C4'-P energy: -120.977 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -114.190 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -131.639 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: 308 Temperature: 1.300000 Total energy: -1418.385373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.385373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.385373 (E_RNA) where: Base-Base interactions energy: -945.365 where: short stacking energy: -412.781 Base-Backbone interact. energy: -1.972 local terms energy: -471.048879 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -119.250 flat angles P-C4'-P energy: -77.769 tors. eta vs tors. theta energy: -76.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -858.716750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.716750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.716750 (E_RNA) where: Base-Base interactions energy: -484.855 where: short stacking energy: -249.022 Base-Backbone interact. energy: -1.099 local terms energy: -372.763441 where: bonds (distance) C4'-P energy: -121.921 bonds (distance) P-C4' energy: -106.143 flat angles C4'-P-C4' energy: -84.022 flat angles P-C4'-P energy: -50.065 tors. eta vs tors. theta energy: -10.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2515.416303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.416303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.416303 (E_RNA) where: Base-Base interactions energy: -1788.921 where: short stacking energy: -736.757 Base-Backbone interact. energy: -5.627 local terms energy: -720.868136 where: bonds (distance) C4'-P energy: -129.446 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -203.642 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: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2438.528364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.528364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.528364 (E_RNA) where: Base-Base interactions energy: -1708.906 where: short stacking energy: -744.549 Base-Backbone interact. energy: -1.003 local terms energy: -728.618692 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -144.195 flat angles C4'-P-C4' energy: -153.809 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -209.620 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: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2334.787608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.787608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.787608 (E_RNA) where: Base-Base interactions energy: -1645.202 where: short stacking energy: -700.139 Base-Backbone interact. energy: -4.876 local terms energy: -684.708988 where: bonds (distance) C4'-P energy: -122.601 bonds (distance) P-C4' energy: -140.663 flat angles C4'-P-C4' energy: -155.026 flat angles P-C4'-P energy: -79.272 tors. eta vs tors. theta energy: -187.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2233.512206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.512206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.512206 (E_RNA) where: Base-Base interactions energy: -1547.668 where: short stacking energy: -658.449 Base-Backbone interact. energy: -2.641 local terms energy: -683.203435 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -141.800 flat angles C4'-P-C4' energy: -137.286 flat angles P-C4'-P energy: -91.605 tors. eta vs tors. theta energy: -190.256 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: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2108.736648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.736648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.736648 (E_RNA) where: Base-Base interactions energy: -1454.967 where: short stacking energy: -617.076 Base-Backbone interact. energy: -3.088 local terms energy: -650.681642 where: bonds (distance) C4'-P energy: -115.052 bonds (distance) P-C4' energy: -142.881 flat angles C4'-P-C4' energy: -132.857 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -170.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2063.312779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.312779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.312779 (E_RNA) where: Base-Base interactions energy: -1446.595 where: short stacking energy: -620.970 Base-Backbone interact. energy: -2.431 local terms energy: -614.286571 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -132.740 flat angles C4'-P-C4' energy: -130.342 flat angles P-C4'-P energy: -70.623 tors. eta vs tors. theta energy: -176.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1853.039649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.039649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.039649 (E_RNA) where: Base-Base interactions energy: -1281.753 where: short stacking energy: -551.506 Base-Backbone interact. energy: -2.541 local terms energy: -568.745648 where: bonds (distance) C4'-P energy: -112.831 bonds (distance) P-C4' energy: -135.338 flat angles C4'-P-C4' energy: -130.569 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -120.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1735.956127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.956127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.956127 (E_RNA) where: Base-Base interactions energy: -1199.913 where: short stacking energy: -524.107 Base-Backbone interact. energy: -2.054 local terms energy: -533.990022 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -101.677 flat angles C4'-P-C4' energy: -120.331 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -105.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1411.193036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.193036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.193036 (E_RNA) where: Base-Base interactions energy: -931.272 where: short stacking energy: -426.647 Base-Backbone interact. energy: 1.367 local terms energy: -481.288476 where: bonds (distance) C4'-P energy: -106.359 bonds (distance) P-C4' energy: -92.722 flat angles C4'-P-C4' energy: -125.532 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -70.663 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: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -895.421804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.421804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.421804 (E_RNA) where: Base-Base interactions energy: -508.936 where: short stacking energy: -286.282 Base-Backbone interact. energy: -3.261 local terms energy: -383.225184 where: bonds (distance) C4'-P energy: -111.284 bonds (distance) P-C4' energy: -102.026 flat angles C4'-P-C4' energy: -93.567 flat angles P-C4'-P energy: -41.959 tors. eta vs tors. theta energy: -34.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2493.581752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.581752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.581752 (E_RNA) where: Base-Base interactions energy: -1731.426 where: short stacking energy: -765.807 Base-Backbone interact. energy: 0.815 local terms energy: -762.970348 where: bonds (distance) C4'-P energy: -143.429 bonds (distance) P-C4' energy: -137.913 flat angles C4'-P-C4' energy: -151.209 flat angles P-C4'-P energy: -108.429 tors. eta vs tors. theta energy: -221.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2460.280669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.280669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.280669 (E_RNA) where: Base-Base interactions energy: -1745.437 where: short stacking energy: -709.390 Base-Backbone interact. energy: -7.898 local terms energy: -706.945970 where: bonds (distance) C4'-P energy: -131.195 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -146.218 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -193.432 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: 310 Temperature: 1.000000 Total energy: -2351.098183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.098183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.098183 (E_RNA) where: Base-Base interactions energy: -1648.778 where: short stacking energy: -689.163 Base-Backbone interact. energy: -0.427 local terms energy: -701.892664 where: bonds (distance) C4'-P energy: -134.305 bonds (distance) P-C4' energy: -126.700 flat angles C4'-P-C4' energy: -153.044 flat angles P-C4'-P energy: -90.398 tors. eta vs tors. theta energy: -197.445 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: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2177.724756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.724756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.724756 (E_RNA) where: Base-Base interactions energy: -1548.829 where: short stacking energy: -653.332 Base-Backbone interact. energy: 1.575 local terms energy: -630.470532 where: bonds (distance) C4'-P energy: -119.242 bonds (distance) P-C4' energy: -123.448 flat angles C4'-P-C4' energy: -136.696 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -160.329 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: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2118.536481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.536481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.536481 (E_RNA) where: Base-Base interactions energy: -1495.712 where: short stacking energy: -661.839 Base-Backbone interact. energy: 1.387 local terms energy: -624.211805 where: bonds (distance) C4'-P energy: -113.378 bonds (distance) P-C4' energy: -121.195 flat angles C4'-P-C4' energy: -144.875 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -178.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2089.810385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.810385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.810385 (E_RNA) where: Base-Base interactions energy: -1474.992 where: short stacking energy: -645.418 Base-Backbone interact. energy: -2.052 local terms energy: -612.765857 where: bonds (distance) C4'-P energy: -101.185 bonds (distance) P-C4' energy: -119.801 flat angles C4'-P-C4' energy: -146.266 flat angles P-C4'-P energy: -79.222 tors. eta vs tors. theta energy: -166.293 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: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1871.615263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.615263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.615263 (E_RNA) where: Base-Base interactions energy: -1285.405 where: short stacking energy: -555.719 Base-Backbone interact. energy: -0.876 local terms energy: -585.334518 where: bonds (distance) C4'-P energy: -117.877 bonds (distance) P-C4' energy: -117.148 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -138.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1706.956093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.956093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.956093 (E_RNA) where: Base-Base interactions energy: -1155.138 where: short stacking energy: -492.096 Base-Backbone interact. energy: -3.756 local terms energy: -548.062521 where: bonds (distance) C4'-P energy: -123.165 bonds (distance) P-C4' energy: -124.517 flat angles C4'-P-C4' energy: -118.808 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -106.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1377.971171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.971171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.971171 (E_RNA) where: Base-Base interactions energy: -931.573 where: short stacking energy: -405.418 Base-Backbone interact. energy: 4.519 local terms energy: -450.917000 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -110.811 flat angles C4'-P-C4' energy: -103.817 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -85.782 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -983.237020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.237020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.237020 (E_RNA) where: Base-Base interactions energy: -594.690 where: short stacking energy: -314.753 Base-Backbone interact. energy: -2.005 local terms energy: -386.541923 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -85.097 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -38.919 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: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2482.098961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.098961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.098961 (E_RNA) where: Base-Base interactions energy: -1722.222 where: short stacking energy: -734.959 Base-Backbone interact. energy: -5.056 local terms energy: -754.820352 where: bonds (distance) C4'-P energy: -133.788 bonds (distance) P-C4' energy: -135.789 flat angles C4'-P-C4' energy: -160.894 flat angles P-C4'-P energy: -100.342 tors. eta vs tors. theta energy: -224.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2480.114542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.114542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.114542 (E_RNA) where: Base-Base interactions energy: -1761.725 where: short stacking energy: -720.740 Base-Backbone interact. energy: 0.311 local terms energy: -718.700096 where: bonds (distance) C4'-P energy: -139.301 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -148.876 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -192.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2342.455454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.455454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.455454 (E_RNA) where: Base-Base interactions energy: -1662.404 where: short stacking energy: -701.937 Base-Backbone interact. energy: -3.011 local terms energy: -677.040250 where: bonds (distance) C4'-P energy: -121.707 bonds (distance) P-C4' energy: -122.592 flat angles C4'-P-C4' energy: -152.313 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -192.603 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: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2183.700634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.700634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.700634 (E_RNA) where: Base-Base interactions energy: -1532.405 where: short stacking energy: -664.892 Base-Backbone interact. energy: 5.365 local terms energy: -656.660593 where: bonds (distance) C4'-P energy: -122.341 bonds (distance) P-C4' energy: -110.902 flat angles C4'-P-C4' energy: -147.957 flat angles P-C4'-P energy: -108.173 tors. eta vs tors. theta energy: -167.288 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: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2153.608732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.608732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.608732 (E_RNA) where: Base-Base interactions energy: -1486.537 where: short stacking energy: -647.305 Base-Backbone interact. energy: -1.198 local terms energy: -665.873421 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -135.861 flat angles C4'-P-C4' energy: -137.308 flat angles P-C4'-P energy: -96.318 tors. eta vs tors. theta energy: -173.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2082.740070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.740070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.740070 (E_RNA) where: Base-Base interactions energy: -1444.518 where: short stacking energy: -635.437 Base-Backbone interact. energy: -3.553 local terms energy: -634.669638 where: bonds (distance) C4'-P energy: -114.154 bonds (distance) P-C4' energy: -131.255 flat angles C4'-P-C4' energy: -136.721 flat angles P-C4'-P energy: -84.831 tors. eta vs tors. theta energy: -167.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1840.081371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.081371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.081371 (E_RNA) where: Base-Base interactions energy: -1263.099 where: short stacking energy: -552.859 Base-Backbone interact. energy: -3.421 local terms energy: -573.561429 where: bonds (distance) C4'-P energy: -107.387 bonds (distance) P-C4' energy: -120.298 flat angles C4'-P-C4' energy: -133.604 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -134.273 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: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1674.359081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.359081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.359081 (E_RNA) where: Base-Base interactions energy: -1134.019 where: short stacking energy: -481.296 Base-Backbone interact. energy: -1.267 local terms energy: -539.073026 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -134.859 flat angles C4'-P-C4' energy: -140.972 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: -104.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1553.425351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.425351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.425351 (E_RNA) where: Base-Base interactions energy: -1047.949 where: short stacking energy: -461.961 Base-Backbone interact. energy: 7.530 local terms energy: -513.006094 where: bonds (distance) C4'-P energy: -120.698 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -120.136 flat angles P-C4'-P energy: -77.525 tors. eta vs tors. theta energy: -98.508 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: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1013.697335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.697335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.697335 (E_RNA) where: Base-Base interactions energy: -585.905 where: short stacking energy: -304.418 Base-Backbone interact. energy: 4.657 local terms energy: -432.449701 where: bonds (distance) C4'-P energy: -114.485 bonds (distance) P-C4' energy: -103.132 flat angles C4'-P-C4' energy: -110.097 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -40.274 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: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2495.260375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.260375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.260375 (E_RNA) where: Base-Base interactions energy: -1750.666 where: short stacking energy: -770.355 Base-Backbone interact. energy: -4.806 local terms energy: -739.788632 where: bonds (distance) C4'-P energy: -125.718 bonds (distance) P-C4' energy: -145.088 flat angles C4'-P-C4' energy: -159.095 flat angles P-C4'-P energy: -99.707 tors. eta vs tors. theta energy: -210.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2457.061163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.061163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.061163 (E_RNA) where: Base-Base interactions energy: -1758.928 where: short stacking energy: -727.770 Base-Backbone interact. energy: -0.877 local terms energy: -697.255836 where: bonds (distance) C4'-P energy: -121.861 bonds (distance) P-C4' energy: -130.014 flat angles C4'-P-C4' energy: -153.207 flat angles P-C4'-P energy: -103.634 tors. eta vs tors. theta energy: -188.540 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: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2343.939405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.939405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.939405 (E_RNA) where: Base-Base interactions energy: -1624.599 where: short stacking energy: -704.524 Base-Backbone interact. energy: -5.677 local terms energy: -713.663687 where: bonds (distance) C4'-P energy: -133.245 bonds (distance) P-C4' energy: -132.384 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -101.227 tors. eta vs tors. theta energy: -201.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2210.512668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.512668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.512668 (E_RNA) where: Base-Base interactions energy: -1552.216 where: short stacking energy: -672.619 Base-Backbone interact. energy: -3.275 local terms energy: -655.021393 where: bonds (distance) C4'-P energy: -120.039 bonds (distance) P-C4' energy: -141.261 flat angles C4'-P-C4' energy: -133.834 flat angles P-C4'-P energy: -83.137 tors. eta vs tors. theta energy: -176.750 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: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2151.351118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.351118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.351118 (E_RNA) where: Base-Base interactions energy: -1503.173 where: short stacking energy: -645.160 Base-Backbone interact. energy: -0.733 local terms energy: -647.445187 where: bonds (distance) C4'-P energy: -104.426 bonds (distance) P-C4' energy: -116.855 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -102.205 tors. eta vs tors. theta energy: -183.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2049.351972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.351972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.351972 (E_RNA) where: Base-Base interactions energy: -1431.036 where: short stacking energy: -595.344 Base-Backbone interact. energy: -4.086 local terms energy: -614.229671 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -128.363 flat angles C4'-P-C4' energy: -128.720 flat angles P-C4'-P energy: -75.894 tors. eta vs tors. theta energy: -157.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1888.364646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.364646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.364646 (E_RNA) where: Base-Base interactions energy: -1321.284 where: short stacking energy: -576.790 Base-Backbone interact. energy: -3.119 local terms energy: -563.961269 where: bonds (distance) C4'-P energy: -115.158 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -133.092 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -127.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1701.562258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.562258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.562258 (E_RNA) where: Base-Base interactions energy: -1163.014 where: short stacking energy: -474.170 Base-Backbone interact. energy: -2.397 local terms energy: -536.150804 where: bonds (distance) C4'-P energy: -123.783 bonds (distance) P-C4' energy: -118.510 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: -90.508 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: 312 Temperature: 1.300000 Total energy: -1514.225521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.225521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.225521 (E_RNA) where: Base-Base interactions energy: -1028.415 where: short stacking energy: -449.287 Base-Backbone interact. energy: -0.632 local terms energy: -485.179297 where: bonds (distance) C4'-P energy: -87.673 bonds (distance) P-C4' energy: -104.158 flat angles C4'-P-C4' energy: -108.117 flat angles P-C4'-P energy: -92.476 tors. eta vs tors. theta energy: -92.754 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: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1027.126104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.126104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.126104 (E_RNA) where: Base-Base interactions energy: -613.851 where: short stacking energy: -310.510 Base-Backbone interact. energy: -1.164 local terms energy: -412.111098 where: bonds (distance) C4'-P energy: -94.434 bonds (distance) P-C4' energy: -122.415 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -56.259 tors. eta vs tors. theta energy: -35.136 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: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2505.676621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.676621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.676621 (E_RNA) where: Base-Base interactions energy: -1740.231 where: short stacking energy: -773.609 Base-Backbone interact. energy: -1.590 local terms energy: -763.855353 where: bonds (distance) C4'-P energy: -138.335 bonds (distance) P-C4' energy: -145.733 flat angles C4'-P-C4' energy: -149.839 flat angles P-C4'-P energy: -104.648 tors. eta vs tors. theta energy: -225.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2460.117198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.117198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.117198 (E_RNA) where: Base-Base interactions energy: -1730.467 where: short stacking energy: -713.891 Base-Backbone interact. energy: -2.273 local terms energy: -727.376610 where: bonds (distance) C4'-P energy: -137.417 bonds (distance) P-C4' energy: -141.770 flat angles C4'-P-C4' energy: -159.117 flat angles P-C4'-P energy: -98.410 tors. eta vs tors. theta energy: -190.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2339.017130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.017130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.017130 (E_RNA) where: Base-Base interactions energy: -1638.488 where: short stacking energy: -705.241 Base-Backbone interact. energy: -3.208 local terms energy: -697.321247 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -148.514 flat angles P-C4'-P energy: -98.631 tors. eta vs tors. theta energy: -196.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2213.902692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.902692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.902692 (E_RNA) where: Base-Base interactions energy: -1553.450 where: short stacking energy: -650.596 Base-Backbone interact. energy: -1.412 local terms energy: -659.041292 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -125.287 flat angles C4'-P-C4' energy: -146.126 flat angles P-C4'-P energy: -89.175 tors. eta vs tors. theta energy: -181.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2110.279676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.279676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.279676 (E_RNA) where: Base-Base interactions energy: -1458.765 where: short stacking energy: -648.283 Base-Backbone interact. energy: 2.740 local terms energy: -654.254081 where: bonds (distance) C4'-P energy: -121.086 bonds (distance) P-C4' energy: -120.599 flat angles C4'-P-C4' energy: -150.201 flat angles P-C4'-P energy: -93.025 tors. eta vs tors. theta energy: -169.343 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: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2036.211908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.211908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.211908 (E_RNA) where: Base-Base interactions energy: -1424.219 where: short stacking energy: -607.316 Base-Backbone interact. energy: -3.755 local terms energy: -608.237874 where: bonds (distance) C4'-P energy: -112.832 bonds (distance) P-C4' energy: -120.562 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -81.876 tors. eta vs tors. theta energy: -154.689 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1894.650150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.650150 (E_RNA) where: Base-Base interactions energy: -1295.751 where: short stacking energy: -550.684 Base-Backbone interact. energy: -5.643 local terms energy: -593.255435 where: bonds (distance) C4'-P energy: -118.604 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -140.106 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: -137.705 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: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1673.512524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.512524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.512524 (E_RNA) where: Base-Base interactions energy: -1153.482 where: short stacking energy: -499.616 Base-Backbone interact. energy: -2.622 local terms energy: -517.408807 where: bonds (distance) C4'-P energy: -97.326 bonds (distance) P-C4' energy: -106.592 flat angles C4'-P-C4' energy: -122.873 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -113.173 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: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1493.219271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.219271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.219271 (E_RNA) where: Base-Base interactions energy: -1000.065 where: short stacking energy: -442.091 Base-Backbone interact. energy: -1.432 local terms energy: -491.721541 where: bonds (distance) C4'-P energy: -106.812 bonds (distance) P-C4' energy: -122.126 flat angles C4'-P-C4' energy: -112.577 flat angles P-C4'-P energy: -81.682 tors. eta vs tors. theta energy: -68.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1082.815983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.815983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.815983 (E_RNA) where: Base-Base interactions energy: -656.831 where: short stacking energy: -311.503 Base-Backbone interact. energy: -2.242 local terms energy: -423.742267 where: bonds (distance) C4'-P energy: -106.133 bonds (distance) P-C4' energy: -106.849 flat angles C4'-P-C4' energy: -121.379 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -24.299 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: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2511.333406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.333406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.333406 (E_RNA) where: Base-Base interactions energy: -1762.728 where: short stacking energy: -775.101 Base-Backbone interact. energy: 1.091 local terms energy: -749.696211 where: bonds (distance) C4'-P energy: -129.157 bonds (distance) P-C4' energy: -146.453 flat angles C4'-P-C4' energy: -150.990 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -222.325 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: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2468.624426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.624426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.624426 (E_RNA) where: Base-Base interactions energy: -1727.845 where: short stacking energy: -699.207 Base-Backbone interact. energy: -3.310 local terms energy: -737.470293 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -141.341 flat angles C4'-P-C4' energy: -153.850 flat angles P-C4'-P energy: -108.864 tors. eta vs tors. theta energy: -191.426 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: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2363.800496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.800496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.800496 (E_RNA) where: Base-Base interactions energy: -1645.741 where: short stacking energy: -707.047 Base-Backbone interact. energy: -1.036 local terms energy: -717.023346 where: bonds (distance) C4'-P energy: -142.886 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -194.767 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: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2175.461720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.461720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.461720 (E_RNA) where: Base-Base interactions energy: -1524.497 where: short stacking energy: -679.379 Base-Backbone interact. energy: -0.392 local terms energy: -650.572788 where: bonds (distance) C4'-P energy: -117.984 bonds (distance) P-C4' energy: -126.082 flat angles C4'-P-C4' energy: -144.110 flat angles P-C4'-P energy: -92.498 tors. eta vs tors. theta energy: -169.899 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: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2069.816695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.816695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.816695 (E_RNA) where: Base-Base interactions energy: -1411.980 where: short stacking energy: -623.311 Base-Backbone interact. energy: 1.144 local terms energy: -658.981355 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -124.263 flat angles C4'-P-C4' energy: -123.546 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -172.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2039.391560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.391560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.391560 (E_RNA) where: Base-Base interactions energy: -1408.793 where: short stacking energy: -588.228 Base-Backbone interact. energy: 1.794 local terms energy: -632.392389 where: bonds (distance) C4'-P energy: -108.466 bonds (distance) P-C4' energy: -137.523 flat angles C4'-P-C4' energy: -136.696 flat angles P-C4'-P energy: -91.497 tors. eta vs tors. theta energy: -158.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1866.793962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.793962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.793962 (E_RNA) where: Base-Base interactions energy: -1331.928 where: short stacking energy: -587.460 Base-Backbone interact. energy: -1.341 local terms energy: -533.525068 where: bonds (distance) C4'-P energy: -100.635 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: -135.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1712.645368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.645368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.645368 (E_RNA) where: Base-Base interactions energy: -1144.469 where: short stacking energy: -489.276 Base-Backbone interact. energy: -2.867 local terms energy: -565.309970 where: bonds (distance) C4'-P energy: -119.892 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -127.073 flat angles P-C4'-P energy: -87.674 tors. eta vs tors. theta energy: -118.284 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: 314 Temperature: 1.300000 Total energy: -1492.036743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.036743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.036743 (E_RNA) where: Base-Base interactions energy: -1007.131 where: short stacking energy: -438.188 Base-Backbone interact. energy: 4.665 local terms energy: -489.569913 where: bonds (distance) C4'-P energy: -103.074 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -76.345 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: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1052.953124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.953124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.953124 (E_RNA) where: Base-Base interactions energy: -650.861 where: short stacking energy: -323.399 Base-Backbone interact. energy: 3.549 local terms energy: -405.641679 where: bonds (distance) C4'-P energy: -111.978 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -109.727 flat angles P-C4'-P energy: -58.807 tors. eta vs tors. theta energy: -38.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2503.590565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.590565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.590565 (E_RNA) where: Base-Base interactions energy: -1742.749 where: short stacking energy: -762.352 Base-Backbone interact. energy: -0.244 local terms energy: -760.597547 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -144.907 flat angles C4'-P-C4' energy: -149.983 flat angles P-C4'-P energy: -109.297 tors. eta vs tors. theta energy: -220.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2448.709723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.709723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.709723 (E_RNA) where: Base-Base interactions energy: -1742.435 where: short stacking energy: -716.159 Base-Backbone interact. energy: -8.330 local terms energy: -697.945126 where: bonds (distance) C4'-P energy: -133.431 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -143.578 flat angles P-C4'-P energy: -103.829 tors. eta vs tors. theta energy: -179.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2379.887307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.887307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.887307 (E_RNA) where: Base-Base interactions energy: -1636.612 where: short stacking energy: -698.346 Base-Backbone interact. energy: -4.470 local terms energy: -738.805231 where: bonds (distance) C4'-P energy: -124.198 bonds (distance) P-C4' energy: -146.129 flat angles C4'-P-C4' energy: -160.213 flat angles P-C4'-P energy: -113.557 tors. eta vs tors. theta energy: -194.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2138.976328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.976328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.976328 (E_RNA) where: Base-Base interactions energy: -1471.768 where: short stacking energy: -651.564 Base-Backbone interact. energy: -2.750 local terms energy: -664.458226 where: bonds (distance) C4'-P energy: -106.130 bonds (distance) P-C4' energy: -133.050 flat angles C4'-P-C4' energy: -144.868 flat angles P-C4'-P energy: -109.056 tors. eta vs tors. theta energy: -171.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2107.139814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.139814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.139814 (E_RNA) where: Base-Base interactions energy: -1463.913 where: short stacking energy: -622.176 Base-Backbone interact. energy: -2.236 local terms energy: -640.991015 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -143.755 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -161.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2040.783045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.783045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.783045 (E_RNA) where: Base-Base interactions energy: -1412.346 where: short stacking energy: -599.577 Base-Backbone interact. energy: -0.579 local terms energy: -627.857606 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -144.860 flat angles P-C4'-P energy: -73.785 tors. eta vs tors. theta energy: -160.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1873.608124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.608124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.608124 (E_RNA) where: Base-Base interactions energy: -1297.867 where: short stacking energy: -580.207 Base-Backbone interact. energy: 4.585 local terms energy: -580.325601 where: bonds (distance) C4'-P energy: -111.766 bonds (distance) P-C4' energy: -106.385 flat angles C4'-P-C4' energy: -132.660 flat angles P-C4'-P energy: -88.692 tors. eta vs tors. theta energy: -140.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1711.235623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.235623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.235623 (E_RNA) where: Base-Base interactions energy: -1147.070 where: short stacking energy: -493.467 Base-Backbone interact. energy: 3.163 local terms energy: -567.328240 where: bonds (distance) C4'-P energy: -115.845 bonds (distance) P-C4' energy: -108.431 flat angles C4'-P-C4' energy: -139.819 flat angles P-C4'-P energy: -88.953 tors. eta vs tors. theta energy: -114.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1519.262287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.262287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.262287 (E_RNA) where: Base-Base interactions energy: -1013.790 where: short stacking energy: -451.206 Base-Backbone interact. energy: 4.097 local terms energy: -509.569497 where: bonds (distance) C4'-P energy: -104.045 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -89.254 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: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -996.174282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.174282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.174282 (E_RNA) where: Base-Base interactions energy: -607.315 where: short stacking energy: -307.962 Base-Backbone interact. energy: 4.251 local terms energy: -393.110698 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -114.195 flat angles C4'-P-C4' energy: -100.159 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -29.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2521.905900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.905900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.905900 (E_RNA) where: Base-Base interactions energy: -1761.743 where: short stacking energy: -776.362 Base-Backbone interact. energy: 0.623 local terms energy: -760.785759 where: bonds (distance) C4'-P energy: -134.083 bonds (distance) P-C4' energy: -133.325 flat angles C4'-P-C4' energy: -162.366 flat angles P-C4'-P energy: -104.103 tors. eta vs tors. theta energy: -226.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2452.443728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.443728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.443728 (E_RNA) where: Base-Base interactions energy: -1729.705 where: short stacking energy: -708.712 Base-Backbone interact. energy: -2.498 local terms energy: -720.241517 where: bonds (distance) C4'-P energy: -134.420 bonds (distance) P-C4' energy: -147.807 flat angles C4'-P-C4' energy: -166.573 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -186.616 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: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2345.721070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.721070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.721070 (E_RNA) where: Base-Base interactions energy: -1654.119 where: short stacking energy: -708.092 Base-Backbone interact. energy: -4.511 local terms energy: -687.090593 where: bonds (distance) C4'-P energy: -118.746 bonds (distance) P-C4' energy: -117.493 flat angles C4'-P-C4' energy: -149.474 flat angles P-C4'-P energy: -100.200 tors. eta vs tors. theta energy: -201.178 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: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2153.260786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.260786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.260786 (E_RNA) where: Base-Base interactions energy: -1477.409 where: short stacking energy: -649.428 Base-Backbone interact. energy: -2.332 local terms energy: -673.519656 where: bonds (distance) C4'-P energy: -124.671 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -147.274 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -181.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2107.322992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.322992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.322992 (E_RNA) where: Base-Base interactions energy: -1449.532 where: short stacking energy: -635.701 Base-Backbone interact. energy: -2.088 local terms energy: -655.703105 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -132.781 flat angles C4'-P-C4' energy: -135.296 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -174.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2023.303015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.303015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.303015 (E_RNA) where: Base-Base interactions energy: -1421.368 where: short stacking energy: -601.638 Base-Backbone interact. energy: 1.774 local terms energy: -603.708751 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -128.978 flat angles P-C4'-P energy: -81.904 tors. eta vs tors. theta energy: -166.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1850.059548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.059548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.059548 (E_RNA) where: Base-Base interactions energy: -1270.673 where: short stacking energy: -541.896 Base-Backbone interact. energy: 2.216 local terms energy: -581.602902 where: bonds (distance) C4'-P energy: -100.547 bonds (distance) P-C4' energy: -117.861 flat angles C4'-P-C4' energy: -133.493 flat angles P-C4'-P energy: -91.348 tors. eta vs tors. theta energy: -138.354 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1752.802585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.802585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.802585 (E_RNA) where: Base-Base interactions energy: -1199.844 where: short stacking energy: -513.613 Base-Backbone interact. energy: -2.117 local terms energy: -550.841585 where: bonds (distance) C4'-P energy: -101.433 bonds (distance) P-C4' energy: -122.243 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -81.327 tors. eta vs tors. theta energy: -110.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1563.470768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.470768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.470768 (E_RNA) where: Base-Base interactions energy: -1059.069 where: short stacking energy: -449.115 Base-Backbone interact. energy: -1.930 local terms energy: -502.472019 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -127.146 flat angles C4'-P-C4' energy: -117.276 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: -81.967 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: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1027.398698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.398698 (E_RNA) where: Base-Base interactions energy: -608.410 where: short stacking energy: -277.895 Base-Backbone interact. energy: 0.217 local terms energy: -419.204868 where: bonds (distance) C4'-P energy: -115.888 bonds (distance) P-C4' energy: -118.821 flat angles C4'-P-C4' energy: -115.308 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -14.615 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: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2543.260649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.260649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.260649 (E_RNA) where: Base-Base interactions energy: -1787.247 where: short stacking energy: -788.058 Base-Backbone interact. energy: -4.166 local terms energy: -751.847645 where: bonds (distance) C4'-P energy: -136.355 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -158.275 flat angles P-C4'-P energy: -104.125 tors. eta vs tors. theta energy: -218.756 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: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2453.685322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.685322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.685322 (E_RNA) where: Base-Base interactions energy: -1764.860 where: short stacking energy: -727.258 Base-Backbone interact. energy: -4.505 local terms energy: -684.320864 where: bonds (distance) C4'-P energy: -118.587 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -138.805 flat angles P-C4'-P energy: -104.215 tors. eta vs tors. theta energy: -195.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2319.873699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.873699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.873699 (E_RNA) where: Base-Base interactions energy: -1660.312 where: short stacking energy: -696.980 Base-Backbone interact. energy: 0.041 local terms energy: -659.602809 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -112.968 flat angles C4'-P-C4' energy: -138.694 flat angles P-C4'-P energy: -100.893 tors. eta vs tors. theta energy: -188.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2190.722437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.722437 (E_RNA) where: Base-Base interactions energy: -1490.278 where: short stacking energy: -653.207 Base-Backbone interact. energy: -2.702 local terms energy: -697.743041 where: bonds (distance) C4'-P energy: -144.522 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -144.500 flat angles P-C4'-P energy: -94.745 tors. eta vs tors. theta energy: -182.423 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: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2127.443100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.443100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.443100 (E_RNA) where: Base-Base interactions energy: -1465.695 where: short stacking energy: -639.739 Base-Backbone interact. energy: -2.175 local terms energy: -659.572247 where: bonds (distance) C4'-P energy: -116.824 bonds (distance) P-C4' energy: -123.622 flat angles C4'-P-C4' energy: -148.832 flat angles P-C4'-P energy: -93.852 tors. eta vs tors. theta energy: -176.441 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: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2053.105841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.105841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.105841 (E_RNA) where: Base-Base interactions energy: -1407.731 where: short stacking energy: -600.543 Base-Backbone interact. energy: -3.142 local terms energy: -642.232823 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -142.599 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -76.816 tors. eta vs tors. theta energy: -157.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1861.009159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.009159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.009159 (E_RNA) where: Base-Base interactions energy: -1265.765 where: short stacking energy: -546.520 Base-Backbone interact. energy: -2.712 local terms energy: -592.531965 where: bonds (distance) C4'-P energy: -108.343 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -131.545 flat angles P-C4'-P energy: -90.582 tors. eta vs tors. theta energy: -135.651 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1697.520280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.520280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.520280 (E_RNA) where: Base-Base interactions energy: -1175.544 where: short stacking energy: -513.875 Base-Backbone interact. energy: -6.339 local terms energy: -515.637639 where: bonds (distance) C4'-P energy: -109.507 bonds (distance) P-C4' energy: -110.132 flat angles C4'-P-C4' energy: -122.747 flat angles P-C4'-P energy: -60.038 tors. eta vs tors. theta energy: -113.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1499.984615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.984615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.984615 (E_RNA) where: Base-Base interactions energy: -1012.387 where: short stacking energy: -457.817 Base-Backbone interact. energy: 2.476 local terms energy: -490.074281 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -119.774 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -77.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1067.678254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.678254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.678254 (E_RNA) where: Base-Base interactions energy: -665.489 where: short stacking energy: -305.528 Base-Backbone interact. energy: 9.916 local terms energy: -412.734964 where: bonds (distance) C4'-P energy: -120.485 bonds (distance) P-C4' energy: -102.590 flat angles C4'-P-C4' energy: -106.958 flat angles P-C4'-P energy: -60.000 tors. eta vs tors. theta energy: -22.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.630 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2527.673411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.673411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.673411 (E_RNA) where: Base-Base interactions energy: -1748.678 where: short stacking energy: -791.720 Base-Backbone interact. energy: -2.076 local terms energy: -776.920164 where: bonds (distance) C4'-P energy: -140.605 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -155.239 flat angles P-C4'-P energy: -109.358 tors. eta vs tors. theta energy: -227.317 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: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2472.962580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.962580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.962580 (E_RNA) where: Base-Base interactions energy: -1762.402 where: short stacking energy: -735.913 Base-Backbone interact. energy: 4.081 local terms energy: -714.641647 where: bonds (distance) C4'-P energy: -126.920 bonds (distance) P-C4' energy: -137.548 flat angles C4'-P-C4' energy: -156.001 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -187.616 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: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2351.107357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.107357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.107357 (E_RNA) where: Base-Base interactions energy: -1655.543 where: short stacking energy: -700.582 Base-Backbone interact. energy: -2.696 local terms energy: -692.869329 where: bonds (distance) C4'-P energy: -119.827 bonds (distance) P-C4' energy: -133.169 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -106.086 tors. eta vs tors. theta energy: -196.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2161.432861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.432861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.432861 (E_RNA) where: Base-Base interactions energy: -1471.820 where: short stacking energy: -680.955 Base-Backbone interact. energy: -0.845 local terms energy: -688.767870 where: bonds (distance) C4'-P energy: -132.312 bonds (distance) P-C4' energy: -138.796 flat angles C4'-P-C4' energy: -143.947 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -179.232 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: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2131.751838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.751838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.751838 (E_RNA) where: Base-Base interactions energy: -1482.202 where: short stacking energy: -623.115 Base-Backbone interact. energy: -6.424 local terms energy: -643.125901 where: bonds (distance) C4'-P energy: -138.321 bonds (distance) P-C4' energy: -110.627 flat angles C4'-P-C4' energy: -129.261 flat angles P-C4'-P energy: -91.881 tors. eta vs tors. theta energy: -173.036 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: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2017.126500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.126500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.126500 (E_RNA) where: Base-Base interactions energy: -1410.323 where: short stacking energy: -602.499 Base-Backbone interact. energy: -4.202 local terms energy: -602.601711 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -120.401 flat angles C4'-P-C4' energy: -117.552 flat angles P-C4'-P energy: -77.028 tors. eta vs tors. theta energy: -170.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1868.819101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.819101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.819101 (E_RNA) where: Base-Base interactions energy: -1273.878 where: short stacking energy: -561.715 Base-Backbone interact. energy: 1.573 local terms energy: -596.514421 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -134.743 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -139.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1660.491510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.491510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.491510 (E_RNA) where: Base-Base interactions energy: -1136.282 where: short stacking energy: -502.935 Base-Backbone interact. energy: -1.539 local terms energy: -522.671078 where: bonds (distance) C4'-P energy: -101.298 bonds (distance) P-C4' energy: -109.817 flat angles C4'-P-C4' energy: -130.659 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -107.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1575.657949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.657949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.657949 (E_RNA) where: Base-Base interactions energy: -1077.716 where: short stacking energy: -466.859 Base-Backbone interact. energy: -1.507 local terms energy: -496.434401 where: bonds (distance) C4'-P energy: -122.285 bonds (distance) P-C4' energy: -104.204 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -72.291 tors. eta vs tors. theta energy: -98.193 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: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1075.352586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.352586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.352586 (E_RNA) where: Base-Base interactions energy: -678.016 where: short stacking energy: -343.391 Base-Backbone interact. energy: 2.655 local terms energy: -399.991719 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -122.004 flat angles C4'-P-C4' energy: -108.559 flat angles P-C4'-P energy: -44.494 tors. eta vs tors. theta energy: -27.641 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: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2516.851633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.851633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.851633 (E_RNA) where: Base-Base interactions energy: -1754.843 where: short stacking energy: -787.150 Base-Backbone interact. energy: 1.327 local terms energy: -763.335891 where: bonds (distance) C4'-P energy: -136.987 bonds (distance) P-C4' energy: -146.775 flat angles C4'-P-C4' energy: -155.880 flat angles P-C4'-P energy: -102.788 tors. eta vs tors. theta energy: -220.906 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: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2432.265480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.265480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.265480 (E_RNA) where: Base-Base interactions energy: -1714.921 where: short stacking energy: -705.280 Base-Backbone interact. energy: -4.770 local terms energy: -712.574565 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -144.364 flat angles P-C4'-P energy: -105.386 tors. eta vs tors. theta energy: -182.991 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: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2365.651823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.651823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.651823 (E_RNA) where: Base-Base interactions energy: -1666.532 where: short stacking energy: -714.935 Base-Backbone interact. energy: -2.139 local terms energy: -696.980693 where: bonds (distance) C4'-P energy: -115.389 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -150.409 flat angles P-C4'-P energy: -91.116 tors. eta vs tors. theta energy: -207.453 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: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2212.075175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.075175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.075175 (E_RNA) where: Base-Base interactions energy: -1544.378 where: short stacking energy: -666.272 Base-Backbone interact. energy: -3.607 local terms energy: -664.090777 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -125.121 flat angles C4'-P-C4' energy: -140.487 flat angles P-C4'-P energy: -97.881 tors. eta vs tors. theta energy: -182.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2049.408048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.408048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.408048 (E_RNA) where: Base-Base interactions energy: -1407.771 where: short stacking energy: -630.668 Base-Backbone interact. energy: 4.024 local terms energy: -645.661003 where: bonds (distance) C4'-P energy: -112.136 bonds (distance) P-C4' energy: -125.822 flat angles C4'-P-C4' energy: -136.610 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -168.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1983.985570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.985570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.985570 (E_RNA) where: Base-Base interactions energy: -1364.597 where: short stacking energy: -586.414 Base-Backbone interact. energy: -1.517 local terms energy: -617.871695 where: bonds (distance) C4'-P energy: -128.735 bonds (distance) P-C4' energy: -121.884 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -153.692 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1843.964796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.964796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.964796 (E_RNA) where: Base-Base interactions energy: -1281.045 where: short stacking energy: -559.976 Base-Backbone interact. energy: -3.721 local terms energy: -559.198191 where: bonds (distance) C4'-P energy: -121.662 bonds (distance) P-C4' energy: -105.887 flat angles C4'-P-C4' energy: -132.297 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -123.524 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: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1696.718787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.718787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.718787 (E_RNA) where: Base-Base interactions energy: -1137.663 where: short stacking energy: -464.073 Base-Backbone interact. energy: -0.572 local terms energy: -558.483365 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -128.531 flat angles P-C4'-P energy: -94.352 tors. eta vs tors. theta energy: -94.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1598.160443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.160443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.160443 (E_RNA) where: Base-Base interactions energy: -1093.832 where: short stacking energy: -471.896 Base-Backbone interact. energy: 1.387 local terms energy: -505.715056 where: bonds (distance) C4'-P energy: -103.602 bonds (distance) P-C4' energy: -115.882 flat angles C4'-P-C4' energy: -114.797 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -101.967 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: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1049.366764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.366764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.366764 (E_RNA) where: Base-Base interactions energy: -639.692 where: short stacking energy: -308.790 Base-Backbone interact. energy: -2.080 local terms energy: -407.594225 where: bonds (distance) C4'-P energy: -89.613 bonds (distance) P-C4' energy: -101.900 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -70.358 tors. eta vs tors. theta energy: -32.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2488.025483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.025483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.025483 (E_RNA) where: Base-Base interactions energy: -1737.389 where: short stacking energy: -752.673 Base-Backbone interact. energy: -4.784 local terms energy: -745.852564 where: bonds (distance) C4'-P energy: -123.492 bonds (distance) P-C4' energy: -130.702 flat angles C4'-P-C4' energy: -153.732 flat angles P-C4'-P energy: -124.484 tors. eta vs tors. theta energy: -213.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2442.698665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.698665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.698665 (E_RNA) where: Base-Base interactions energy: -1749.025 where: short stacking energy: -746.484 Base-Backbone interact. energy: 0.620 local terms energy: -694.293223 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -121.176 flat angles C4'-P-C4' energy: -149.512 flat angles P-C4'-P energy: -94.123 tors. eta vs tors. theta energy: -193.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2379.576624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.576624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.576624 (E_RNA) where: Base-Base interactions energy: -1657.563 where: short stacking energy: -688.328 Base-Backbone interact. energy: 2.656 local terms energy: -724.669562 where: bonds (distance) C4'-P energy: -129.184 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -154.545 flat angles P-C4'-P energy: -105.284 tors. eta vs tors. theta energy: -195.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2250.875607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.875607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.875607 (E_RNA) where: Base-Base interactions energy: -1564.016 where: short stacking energy: -720.250 Base-Backbone interact. energy: -2.179 local terms energy: -684.680702 where: bonds (distance) C4'-P energy: -121.931 bonds (distance) P-C4' energy: -122.468 flat angles C4'-P-C4' energy: -142.833 flat angles P-C4'-P energy: -97.628 tors. eta vs tors. theta energy: -199.821 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: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2047.713585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.713585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.713585 (E_RNA) where: Base-Base interactions energy: -1426.219 where: short stacking energy: -631.976 Base-Backbone interact. energy: -2.445 local terms energy: -619.049835 where: bonds (distance) C4'-P energy: -113.789 bonds (distance) P-C4' energy: -115.841 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -167.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1990.471945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.471945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.471945 (E_RNA) where: Base-Base interactions energy: -1382.684 where: short stacking energy: -580.432 Base-Backbone interact. energy: 0.315 local terms energy: -608.102864 where: bonds (distance) C4'-P energy: -119.764 bonds (distance) P-C4' energy: -127.854 flat angles C4'-P-C4' energy: -134.856 flat angles P-C4'-P energy: -82.164 tors. eta vs tors. theta energy: -143.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1882.213894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.213894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.213894 (E_RNA) where: Base-Base interactions energy: -1286.455 where: short stacking energy: -553.902 Base-Backbone interact. energy: -0.173 local terms energy: -595.585899 where: bonds (distance) C4'-P energy: -107.677 bonds (distance) P-C4' energy: -112.157 flat angles C4'-P-C4' energy: -134.470 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -146.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1680.391288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.391288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.391288 (E_RNA) where: Base-Base interactions energy: -1143.086 where: short stacking energy: -466.150 Base-Backbone interact. energy: 0.799 local terms energy: -538.104344 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -123.103 flat angles C4'-P-C4' energy: -118.605 flat angles P-C4'-P energy: -63.066 tors. eta vs tors. theta energy: -111.262 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: 320 Temperature: 1.300000 Total energy: -1622.391152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.391152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.391152 (E_RNA) where: Base-Base interactions energy: -1093.164 where: short stacking energy: -461.960 Base-Backbone interact. energy: 0.681 local terms energy: -529.909037 where: bonds (distance) C4'-P energy: -102.832 bonds (distance) P-C4' energy: -121.560 flat angles C4'-P-C4' energy: -130.116 flat angles P-C4'-P energy: -76.063 tors. eta vs tors. theta energy: -99.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1015.388137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.388137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.388137 (E_RNA) where: Base-Base interactions energy: -589.334 where: short stacking energy: -291.301 Base-Backbone interact. energy: 8.285 local terms energy: -434.338834 where: bonds (distance) C4'-P energy: -113.264 bonds (distance) P-C4' energy: -118.235 flat angles C4'-P-C4' energy: -98.712 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -54.569 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: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2521.584230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.584230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.584230 (E_RNA) where: Base-Base interactions energy: -1728.719 where: short stacking energy: -762.741 Base-Backbone interact. energy: -0.258 local terms energy: -792.607534 where: bonds (distance) C4'-P energy: -132.845 bonds (distance) P-C4' energy: -142.801 flat angles C4'-P-C4' energy: -165.643 flat angles P-C4'-P energy: -124.714 tors. eta vs tors. theta energy: -226.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2456.383868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.383868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.383868 (E_RNA) where: Base-Base interactions energy: -1744.999 where: short stacking energy: -730.457 Base-Backbone interact. energy: 1.169 local terms energy: -712.553246 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -149.182 flat angles C4'-P-C4' energy: -151.882 flat angles P-C4'-P energy: -104.215 tors. eta vs tors. theta energy: -194.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2363.706450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.706450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.706450 (E_RNA) where: Base-Base interactions energy: -1659.220 where: short stacking energy: -678.471 Base-Backbone interact. energy: 0.074 local terms energy: -704.560456 where: bonds (distance) C4'-P energy: -136.086 bonds (distance) P-C4' energy: -128.540 flat angles C4'-P-C4' energy: -152.768 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -187.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2208.838615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.838615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.838615 (E_RNA) where: Base-Base interactions energy: -1561.981 where: short stacking energy: -693.137 Base-Backbone interact. energy: -1.953 local terms energy: -644.904160 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -108.653 flat angles C4'-P-C4' energy: -136.662 flat angles P-C4'-P energy: -94.310 tors. eta vs tors. theta energy: -190.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2019.074182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.074182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.074182 (E_RNA) where: Base-Base interactions energy: -1389.590 where: short stacking energy: -589.925 Base-Backbone interact. energy: -0.413 local terms energy: -629.070254 where: bonds (distance) C4'-P energy: -119.818 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -139.068 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: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2008.604008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.604008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.604008 (E_RNA) where: Base-Base interactions energy: -1399.461 where: short stacking energy: -588.480 Base-Backbone interact. energy: -2.451 local terms energy: -606.691971 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -110.860 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -155.263 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: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1848.774495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.774495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.774495 (E_RNA) where: Base-Base interactions energy: -1292.135 where: short stacking energy: -548.431 Base-Backbone interact. energy: -0.666 local terms energy: -555.973852 where: bonds (distance) C4'-P energy: -102.839 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -127.570 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -129.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1676.450144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.450144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.450144 (E_RNA) where: Base-Base interactions energy: -1165.898 where: short stacking energy: -510.806 Base-Backbone interact. energy: 15.542 local terms energy: -526.094286 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -113.407 flat angles C4'-P-C4' energy: -116.066 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -102.612 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: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1584.508423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.508423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.508423 (E_RNA) where: Base-Base interactions energy: -1094.942 where: short stacking energy: -464.502 Base-Backbone interact. energy: 4.112 local terms energy: -493.678347 where: bonds (distance) C4'-P energy: -87.369 bonds (distance) P-C4' energy: -112.952 flat angles C4'-P-C4' energy: -123.325 flat angles P-C4'-P energy: -76.676 tors. eta vs tors. theta energy: -93.356 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1042.015327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.015327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.015327 (E_RNA) where: Base-Base interactions energy: -633.009 where: short stacking energy: -317.758 Base-Backbone interact. energy: -0.412 local terms energy: -408.594244 where: bonds (distance) C4'-P energy: -89.965 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -100.329 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -26.731 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: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2526.942171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.942171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.942171 (E_RNA) where: Base-Base interactions energy: -1756.364 where: short stacking energy: -769.972 Base-Backbone interact. energy: -4.034 local terms energy: -766.544183 where: bonds (distance) C4'-P energy: -134.961 bonds (distance) P-C4' energy: -134.061 flat angles C4'-P-C4' energy: -164.287 flat angles P-C4'-P energy: -110.709 tors. eta vs tors. theta energy: -222.527 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: 322 Temperature: 0.950000 Total energy: -2447.455944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.455944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.455944 (E_RNA) where: Base-Base interactions energy: -1700.908 where: short stacking energy: -718.168 Base-Backbone interact. energy: -3.002 local terms energy: -743.546533 where: bonds (distance) C4'-P energy: -141.404 bonds (distance) P-C4' energy: -130.729 flat angles C4'-P-C4' energy: -161.430 flat angles P-C4'-P energy: -109.860 tors. eta vs tors. theta energy: -200.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2365.984898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.984898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.984898 (E_RNA) where: Base-Base interactions energy: -1646.873 where: short stacking energy: -705.911 Base-Backbone interact. energy: -0.891 local terms energy: -718.221363 where: bonds (distance) C4'-P energy: -124.619 bonds (distance) P-C4' energy: -130.988 flat angles C4'-P-C4' energy: -157.331 flat angles P-C4'-P energy: -111.694 tors. eta vs tors. theta energy: -193.590 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: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2207.126915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.126915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.126915 (E_RNA) where: Base-Base interactions energy: -1520.941 where: short stacking energy: -666.513 Base-Backbone interact. energy: -1.579 local terms energy: -684.606235 where: bonds (distance) C4'-P energy: -124.739 bonds (distance) P-C4' energy: -130.970 flat angles C4'-P-C4' energy: -149.311 flat angles P-C4'-P energy: -94.395 tors. eta vs tors. theta energy: -185.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2070.680669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.680669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.680669 (E_RNA) where: Base-Base interactions energy: -1449.074 where: short stacking energy: -606.295 Base-Backbone interact. energy: -1.652 local terms energy: -619.955035 where: bonds (distance) C4'-P energy: -117.394 bonds (distance) P-C4' energy: -122.213 flat angles C4'-P-C4' energy: -133.186 flat angles P-C4'-P energy: -91.711 tors. eta vs tors. theta energy: -155.451 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: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2006.066555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.066555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.066555 (E_RNA) where: Base-Base interactions energy: -1408.780 where: short stacking energy: -589.159 Base-Backbone interact. energy: 0.631 local terms energy: -597.917698 where: bonds (distance) C4'-P energy: -115.796 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -116.558 flat angles P-C4'-P energy: -94.162 tors. eta vs tors. theta energy: -145.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1880.510372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.510372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.510372 (E_RNA) where: Base-Base interactions energy: -1306.683 where: short stacking energy: -578.370 Base-Backbone interact. energy: -1.035 local terms energy: -572.792496 where: bonds (distance) C4'-P energy: -104.688 bonds (distance) P-C4' energy: -121.690 flat angles C4'-P-C4' energy: -136.176 flat angles P-C4'-P energy: -77.470 tors. eta vs tors. theta energy: -132.768 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: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1731.108582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.108582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.108582 (E_RNA) where: Base-Base interactions energy: -1174.869 where: short stacking energy: -495.972 Base-Backbone interact. energy: -3.597 local terms energy: -552.642902 where: bonds (distance) C4'-P energy: -103.401 bonds (distance) P-C4' energy: -120.247 flat angles C4'-P-C4' energy: -134.657 flat angles P-C4'-P energy: -78.073 tors. eta vs tors. theta energy: -116.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1591.235974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.235974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.235974 (E_RNA) where: Base-Base interactions energy: -1074.742 where: short stacking energy: -435.767 Base-Backbone interact. energy: 2.963 local terms energy: -519.456112 where: bonds (distance) C4'-P energy: -124.423 bonds (distance) P-C4' energy: -109.836 flat angles C4'-P-C4' energy: -121.084 flat angles P-C4'-P energy: -67.188 tors. eta vs tors. theta energy: -96.925 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: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1082.324874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.324874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.324874 (E_RNA) where: Base-Base interactions energy: -689.577 where: short stacking energy: -294.956 Base-Backbone interact. energy: 3.273 local terms energy: -396.021204 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -110.433 flat angles C4'-P-C4' energy: -101.215 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -27.457 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: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2511.252718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.252718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.252718 (E_RNA) where: Base-Base interactions energy: -1722.433 where: short stacking energy: -762.290 Base-Backbone interact. energy: -3.563 local terms energy: -785.256241 where: bonds (distance) C4'-P energy: -145.101 bonds (distance) P-C4' energy: -143.997 flat angles C4'-P-C4' energy: -155.763 flat angles P-C4'-P energy: -111.003 tors. eta vs tors. theta energy: -229.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2398.076723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.076723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.076723 (E_RNA) where: Base-Base interactions energy: -1682.158 where: short stacking energy: -698.157 Base-Backbone interact. energy: -1.179 local terms energy: -714.739905 where: bonds (distance) C4'-P energy: -129.468 bonds (distance) P-C4' energy: -134.600 flat angles C4'-P-C4' energy: -154.941 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: -198.878 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: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2412.545271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.545271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.545271 (E_RNA) where: Base-Base interactions energy: -1698.262 where: short stacking energy: -720.659 Base-Backbone interact. energy: -4.756 local terms energy: -709.528177 where: bonds (distance) C4'-P energy: -125.321 bonds (distance) P-C4' energy: -140.269 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -98.794 tors. eta vs tors. theta energy: -196.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2245.707778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.707778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.707778 (E_RNA) where: Base-Base interactions energy: -1528.868 where: short stacking energy: -673.394 Base-Backbone interact. energy: 0.183 local terms energy: -717.022803 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -136.745 flat angles C4'-P-C4' energy: -156.104 flat angles P-C4'-P energy: -104.259 tors. eta vs tors. theta energy: -188.529 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: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2041.843361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.843361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.843361 (E_RNA) where: Base-Base interactions energy: -1422.027 where: short stacking energy: -601.368 Base-Backbone interact. energy: -3.267 local terms energy: -616.549338 where: bonds (distance) C4'-P energy: -124.288 bonds (distance) P-C4' energy: -120.426 flat angles C4'-P-C4' energy: -126.205 flat angles P-C4'-P energy: -93.644 tors. eta vs tors. theta energy: -151.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1950.036469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.036469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.036469 (E_RNA) where: Base-Base interactions energy: -1334.719 where: short stacking energy: -609.986 Base-Backbone interact. energy: -2.189 local terms energy: -613.128610 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -115.956 flat angles C4'-P-C4' energy: -130.731 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -153.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1817.733815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.733815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.733815 (E_RNA) where: Base-Base interactions energy: -1237.397 where: short stacking energy: -532.053 Base-Backbone interact. energy: -1.416 local terms energy: -578.920367 where: bonds (distance) C4'-P energy: -121.291 bonds (distance) P-C4' energy: -108.881 flat angles C4'-P-C4' energy: -140.627 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -130.269 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: 8, replica: 3 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1722.951380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.951380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.951380 (E_RNA) where: Base-Base interactions energy: -1157.850 where: short stacking energy: -520.779 Base-Backbone interact. energy: -1.898 local terms energy: -563.203315 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -125.263 flat angles P-C4'-P energy: -83.521 tors. eta vs tors. theta energy: -127.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1593.510011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.510011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.510011 (E_RNA) where: Base-Base interactions energy: -1091.795 where: short stacking energy: -469.117 Base-Backbone interact. energy: -0.938 local terms energy: -500.777350 where: bonds (distance) C4'-P energy: -108.612 bonds (distance) P-C4' energy: -133.762 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -79.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1114.657628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.657628 (E_RNA) where: Base-Base interactions energy: -696.658 where: short stacking energy: -313.562 Base-Backbone interact. energy: -2.216 local terms energy: -415.782906 where: bonds (distance) C4'-P energy: -78.730 bonds (distance) P-C4' energy: -122.216 flat angles C4'-P-C4' energy: -113.461 flat angles P-C4'-P energy: -58.191 tors. eta vs tors. theta energy: -43.185 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: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2498.003675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.003675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.003675 (E_RNA) where: Base-Base interactions energy: -1726.153 where: short stacking energy: -776.260 Base-Backbone interact. energy: -2.355 local terms energy: -769.495563 where: bonds (distance) C4'-P energy: -138.389 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -160.959 flat angles P-C4'-P energy: -100.236 tors. eta vs tors. theta energy: -224.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2416.002830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.002830 (E_RNA) where: Base-Base interactions energy: -1690.004 where: short stacking energy: -701.869 Base-Backbone interact. energy: -2.519 local terms energy: -723.480023 where: bonds (distance) C4'-P energy: -141.791 bonds (distance) P-C4' energy: -133.006 flat angles C4'-P-C4' energy: -152.962 flat angles P-C4'-P energy: -98.295 tors. eta vs tors. theta energy: -197.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2391.457502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.457502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.457502 (E_RNA) where: Base-Base interactions energy: -1707.697 where: short stacking energy: -694.692 Base-Backbone interact. energy: -1.380 local terms energy: -682.380963 where: bonds (distance) C4'-P energy: -128.311 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -152.286 flat angles P-C4'-P energy: -90.720 tors. eta vs tors. theta energy: -190.600 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: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2245.592221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.592221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.592221 (E_RNA) where: Base-Base interactions energy: -1564.868 where: short stacking energy: -679.475 Base-Backbone interact. energy: -3.360 local terms energy: -677.364269 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -147.623 flat angles P-C4'-P energy: -104.422 tors. eta vs tors. theta energy: -196.350 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: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2110.911890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.911890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.911890 (E_RNA) where: Base-Base interactions energy: -1490.565 where: short stacking energy: -635.587 Base-Backbone interact. energy: -2.745 local terms energy: -617.602435 where: bonds (distance) C4'-P energy: -107.841 bonds (distance) P-C4' energy: -102.182 flat angles C4'-P-C4' energy: -142.627 flat angles P-C4'-P energy: -99.079 tors. eta vs tors. theta energy: -165.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1917.760937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.760937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.760937 (E_RNA) where: Base-Base interactions energy: -1301.235 where: short stacking energy: -574.372 Base-Backbone interact. energy: -0.680 local terms energy: -615.846245 where: bonds (distance) C4'-P energy: -118.872 bonds (distance) P-C4' energy: -128.086 flat angles C4'-P-C4' energy: -136.033 flat angles P-C4'-P energy: -84.704 tors. eta vs tors. theta energy: -148.152 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: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1851.770652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.770652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.770652 (E_RNA) where: Base-Base interactions energy: -1284.592 where: short stacking energy: -539.927 Base-Backbone interact. energy: 0.215 local terms energy: -567.393536 where: bonds (distance) C4'-P energy: -113.449 bonds (distance) P-C4' energy: -137.550 flat angles C4'-P-C4' energy: -113.864 flat angles P-C4'-P energy: -77.009 tors. eta vs tors. theta energy: -125.521 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: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1728.536494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.536494 (E_RNA) where: Base-Base interactions energy: -1211.366 where: short stacking energy: -507.496 Base-Backbone interact. energy: -2.208 local terms energy: -514.962270 where: bonds (distance) C4'-P energy: -117.149 bonds (distance) P-C4' energy: -118.085 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -65.419 tors. eta vs tors. theta energy: -105.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1583.228995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.228995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.228995 (E_RNA) where: Base-Base interactions energy: -1072.815 where: short stacking energy: -455.400 Base-Backbone interact. energy: 1.112 local terms energy: -511.526052 where: bonds (distance) C4'-P energy: -109.169 bonds (distance) P-C4' energy: -117.948 flat angles C4'-P-C4' energy: -116.090 flat angles P-C4'-P energy: -71.377 tors. eta vs tors. theta energy: -96.941 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: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1147.944347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.944347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.944347 (E_RNA) where: Base-Base interactions energy: -683.746 where: short stacking energy: -315.814 Base-Backbone interact. energy: -3.149 local terms energy: -461.049521 where: bonds (distance) C4'-P energy: -100.695 bonds (distance) P-C4' energy: -131.746 flat angles C4'-P-C4' energy: -113.185 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -45.250 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: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2527.255450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.255450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.255450 (E_RNA) where: Base-Base interactions energy: -1761.589 where: short stacking energy: -768.882 Base-Backbone interact. energy: -3.208 local terms energy: -762.458311 where: bonds (distance) C4'-P energy: -124.834 bonds (distance) P-C4' energy: -146.907 flat angles C4'-P-C4' energy: -163.447 flat angles P-C4'-P energy: -99.399 tors. eta vs tors. theta energy: -227.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2410.078933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.078933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.078933 (E_RNA) where: Base-Base interactions energy: -1658.811 where: short stacking energy: -710.755 Base-Backbone interact. energy: -2.928 local terms energy: -748.340213 where: bonds (distance) C4'-P energy: -126.290 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -214.139 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: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2421.289870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.289870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.289870 (E_RNA) where: Base-Base interactions energy: -1711.573 where: short stacking energy: -687.877 Base-Backbone interact. energy: -5.850 local terms energy: -703.866638 where: bonds (distance) C4'-P energy: -140.696 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -155.807 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -187.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2248.273079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.273079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.273079 (E_RNA) where: Base-Base interactions energy: -1538.275 where: short stacking energy: -691.196 Base-Backbone interact. energy: -2.277 local terms energy: -707.721405 where: bonds (distance) C4'-P energy: -122.466 bonds (distance) P-C4' energy: -143.328 flat angles C4'-P-C4' energy: -150.275 flat angles P-C4'-P energy: -100.430 tors. eta vs tors. theta energy: -191.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2157.128059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.128059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.128059 (E_RNA) where: Base-Base interactions energy: -1496.171 where: short stacking energy: -636.045 Base-Backbone interact. energy: -4.337 local terms energy: -656.619369 where: bonds (distance) C4'-P energy: -115.550 bonds (distance) P-C4' energy: -125.329 flat angles C4'-P-C4' energy: -144.631 flat angles P-C4'-P energy: -101.510 tors. eta vs tors. theta energy: -169.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1971.925482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.925482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.925482 (E_RNA) where: Base-Base interactions energy: -1339.209 where: short stacking energy: -589.210 Base-Backbone interact. energy: -1.512 local terms energy: -631.204177 where: bonds (distance) C4'-P energy: -119.997 bonds (distance) P-C4' energy: -146.646 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -152.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1899.157694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.157694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.157694 (E_RNA) where: Base-Base interactions energy: -1280.572 where: short stacking energy: -565.615 Base-Backbone interact. energy: 3.351 local terms energy: -621.937212 where: bonds (distance) C4'-P energy: -115.479 bonds (distance) P-C4' energy: -128.626 flat angles C4'-P-C4' energy: -134.114 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -151.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1674.876446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.876446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.876446 (E_RNA) where: Base-Base interactions energy: -1152.040 where: short stacking energy: -489.297 Base-Backbone interact. energy: -0.211 local terms energy: -522.625446 where: bonds (distance) C4'-P energy: -97.086 bonds (distance) P-C4' energy: -115.513 flat angles C4'-P-C4' energy: -124.338 flat angles P-C4'-P energy: -73.308 tors. eta vs tors. theta energy: -112.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1586.753209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.753209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.753209 (E_RNA) where: Base-Base interactions energy: -1109.569 where: short stacking energy: -453.538 Base-Backbone interact. energy: 0.373 local terms energy: -477.557380 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -111.146 flat angles P-C4'-P energy: -69.942 tors. eta vs tors. theta energy: -84.671 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: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1134.995480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.995480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.995480 (E_RNA) where: Base-Base interactions energy: -730.519 where: short stacking energy: -342.516 Base-Backbone interact. energy: 6.298 local terms energy: -410.774488 where: bonds (distance) C4'-P energy: -118.372 bonds (distance) P-C4' energy: -101.355 flat angles C4'-P-C4' energy: -110.729 flat angles P-C4'-P energy: -53.431 tors. eta vs tors. theta energy: -26.888 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: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2506.606152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.606152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.606152 (E_RNA) where: Base-Base interactions energy: -1733.627 where: short stacking energy: -780.411 Base-Backbone interact. energy: -3.171 local terms energy: -769.807748 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -139.165 flat angles C4'-P-C4' energy: -162.298 flat angles P-C4'-P energy: -114.575 tors. eta vs tors. theta energy: -218.074 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: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2406.193004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.193004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.193004 (E_RNA) where: Base-Base interactions energy: -1676.571 where: short stacking energy: -715.071 Base-Backbone interact. energy: -4.443 local terms energy: -725.179399 where: bonds (distance) C4'-P energy: -127.346 bonds (distance) P-C4' energy: -133.170 flat angles C4'-P-C4' energy: -156.832 flat angles P-C4'-P energy: -98.285 tors. eta vs tors. theta energy: -209.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2394.990793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.990793 (E_RNA) where: Base-Base interactions energy: -1691.793 where: short stacking energy: -714.873 Base-Backbone interact. energy: -2.093 local terms energy: -701.104567 where: bonds (distance) C4'-P energy: -124.250 bonds (distance) P-C4' energy: -139.221 flat angles C4'-P-C4' energy: -157.915 flat angles P-C4'-P energy: -92.929 tors. eta vs tors. theta energy: -186.790 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: 326 Temperature: 1.050000 Total energy: -2254.583152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.583152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.583152 (E_RNA) where: Base-Base interactions energy: -1561.494 where: short stacking energy: -684.746 Base-Backbone interact. energy: -4.381 local terms energy: -688.707865 where: bonds (distance) C4'-P energy: -115.195 bonds (distance) P-C4' energy: -127.343 flat angles C4'-P-C4' energy: -155.205 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -184.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2121.953479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.953479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.953479 (E_RNA) where: Base-Base interactions energy: -1512.555 where: short stacking energy: -654.921 Base-Backbone interact. energy: 3.687 local terms energy: -613.085081 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -111.329 flat angles C4'-P-C4' energy: -126.133 flat angles P-C4'-P energy: -93.334 tors. eta vs tors. theta energy: -168.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1985.988896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.988896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.988896 (E_RNA) where: Base-Base interactions energy: -1372.624 where: short stacking energy: -588.578 Base-Backbone interact. energy: -2.231 local terms energy: -611.133719 where: bonds (distance) C4'-P energy: -105.523 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -132.339 flat angles P-C4'-P energy: -104.932 tors. eta vs tors. theta energy: -137.661 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: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1840.958325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.958325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.958325 (E_RNA) where: Base-Base interactions energy: -1267.813 where: short stacking energy: -535.155 Base-Backbone interact. energy: -0.133 local terms energy: -573.012862 where: bonds (distance) C4'-P energy: -104.970 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -130.540 flat angles P-C4'-P energy: -92.140 tors. eta vs tors. theta energy: -140.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1716.102849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.102849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.102849 (E_RNA) where: Base-Base interactions energy: -1167.431 where: short stacking energy: -483.088 Base-Backbone interact. energy: -2.333 local terms energy: -546.338714 where: bonds (distance) C4'-P energy: -102.779 bonds (distance) P-C4' energy: -127.889 flat angles C4'-P-C4' energy: -132.474 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -110.882 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: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1655.025588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.025588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.025588 (E_RNA) where: Base-Base interactions energy: -1118.545 where: short stacking energy: -481.972 Base-Backbone interact. energy: -2.460 local terms energy: -534.020475 where: bonds (distance) C4'-P energy: -125.081 bonds (distance) P-C4' energy: -111.228 flat angles C4'-P-C4' energy: -116.976 flat angles P-C4'-P energy: -72.177 tors. eta vs tors. theta energy: -108.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1122.599618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.599618 (E_RNA) where: Base-Base interactions energy: -715.736 where: short stacking energy: -345.293 Base-Backbone interact. energy: -0.817 local terms energy: -406.046870 where: bonds (distance) C4'-P energy: -90.456 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -91.398 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -51.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2490.472050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.472050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.472050 (E_RNA) where: Base-Base interactions energy: -1723.371 where: short stacking energy: -770.266 Base-Backbone interact. energy: -3.754 local terms energy: -763.347758 where: bonds (distance) C4'-P energy: -148.032 bonds (distance) P-C4' energy: -133.158 flat angles C4'-P-C4' energy: -160.457 flat angles P-C4'-P energy: -109.310 tors. eta vs tors. theta energy: -212.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2459.004743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.004743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.004743 (E_RNA) where: Base-Base interactions energy: -1741.106 where: short stacking energy: -723.731 Base-Backbone interact. energy: -4.171 local terms energy: -713.728431 where: bonds (distance) C4'-P energy: -130.818 bonds (distance) P-C4' energy: -133.598 flat angles C4'-P-C4' energy: -151.253 flat angles P-C4'-P energy: -102.163 tors. eta vs tors. theta energy: -195.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2353.224960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.224960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.224960 (E_RNA) where: Base-Base interactions energy: -1624.413 where: short stacking energy: -685.802 Base-Backbone interact. energy: -3.371 local terms energy: -725.440617 where: bonds (distance) C4'-P energy: -134.147 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -146.327 flat angles P-C4'-P energy: -103.675 tors. eta vs tors. theta energy: -202.859 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: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2165.885596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.885596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.885596 (E_RNA) where: Base-Base interactions energy: -1502.635 where: short stacking energy: -645.532 Base-Backbone interact. energy: -0.881 local terms energy: -662.369802 where: bonds (distance) C4'-P energy: -128.003 bonds (distance) P-C4' energy: -131.460 flat angles C4'-P-C4' energy: -142.358 flat angles P-C4'-P energy: -89.448 tors. eta vs tors. theta energy: -171.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2230.547034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.547034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.547034 (E_RNA) where: Base-Base interactions energy: -1585.180 where: short stacking energy: -681.477 Base-Backbone interact. energy: -0.051 local terms energy: -645.316287 where: bonds (distance) C4'-P energy: -110.187 bonds (distance) P-C4' energy: -111.411 flat angles C4'-P-C4' energy: -138.581 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -195.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2006.422892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.422892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.422892 (E_RNA) where: Base-Base interactions energy: -1393.607 where: short stacking energy: -619.900 Base-Backbone interact. energy: -0.147 local terms energy: -612.669426 where: bonds (distance) C4'-P energy: -103.379 bonds (distance) P-C4' energy: -120.047 flat angles C4'-P-C4' energy: -137.554 flat angles P-C4'-P energy: -98.866 tors. eta vs tors. theta energy: -152.824 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: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1882.221649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.221649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.221649 (E_RNA) where: Base-Base interactions energy: -1298.519 where: short stacking energy: -556.412 Base-Backbone interact. energy: 2.217 local terms energy: -585.919927 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -117.343 flat angles C4'-P-C4' energy: -139.818 flat angles P-C4'-P energy: -80.422 tors. eta vs tors. theta energy: -146.350 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: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1695.941695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.941695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.941695 (E_RNA) where: Base-Base interactions energy: -1147.725 where: short stacking energy: -521.335 Base-Backbone interact. energy: 0.154 local terms energy: -548.370233 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -114.396 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -118.000 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: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1630.744455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.744455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.744455 (E_RNA) where: Base-Base interactions energy: -1126.245 where: short stacking energy: -489.644 Base-Backbone interact. energy: -3.640 local terms energy: -500.859431 where: bonds (distance) C4'-P energy: -111.319 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -92.621 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: -101.900 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: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1082.254763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.254763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.254763 (E_RNA) where: Base-Base interactions energy: -678.265 where: short stacking energy: -305.719 Base-Backbone interact. energy: -1.305 local terms energy: -402.684487 where: bonds (distance) C4'-P energy: -100.127 bonds (distance) P-C4' energy: -122.276 flat angles C4'-P-C4' energy: -99.056 flat angles P-C4'-P energy: -57.612 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: 1, replica: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2514.347095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.347095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.347095 (E_RNA) where: Base-Base interactions energy: -1758.488 where: short stacking energy: -757.202 Base-Backbone interact. energy: -4.024 local terms energy: -751.834956 where: bonds (distance) C4'-P energy: -137.972 bonds (distance) P-C4' energy: -139.828 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -105.668 tors. eta vs tors. theta energy: -210.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2421.985734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.985734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.985734 (E_RNA) where: Base-Base interactions energy: -1710.361 where: short stacking energy: -680.674 Base-Backbone interact. energy: 0.496 local terms energy: -712.120246 where: bonds (distance) C4'-P energy: -128.913 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -154.933 flat angles P-C4'-P energy: -101.550 tors. eta vs tors. theta energy: -181.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2410.216551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.216551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.216551 (E_RNA) where: Base-Base interactions energy: -1649.242 where: short stacking energy: -720.264 Base-Backbone interact. energy: -0.353 local terms energy: -760.622190 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -138.674 flat angles C4'-P-C4' energy: -163.909 flat angles P-C4'-P energy: -116.327 tors. eta vs tors. theta energy: -212.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2215.914627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.914627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.914627 (E_RNA) where: Base-Base interactions energy: -1537.101 where: short stacking energy: -658.862 Base-Backbone interact. energy: -0.910 local terms energy: -677.902873 where: bonds (distance) C4'-P energy: -133.344 bonds (distance) P-C4' energy: -133.590 flat angles C4'-P-C4' energy: -147.291 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -175.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2225.657134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.657134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.657134 (E_RNA) where: Base-Base interactions energy: -1561.502 where: short stacking energy: -687.955 Base-Backbone interact. energy: -3.609 local terms energy: -660.545707 where: bonds (distance) C4'-P energy: -104.588 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -90.148 tors. eta vs tors. theta energy: -192.236 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: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1936.623659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.623659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.623659 (E_RNA) where: Base-Base interactions energy: -1312.892 where: short stacking energy: -582.598 Base-Backbone interact. energy: -1.409 local terms energy: -622.323125 where: bonds (distance) C4'-P energy: -116.419 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -131.615 flat angles P-C4'-P energy: -88.294 tors. eta vs tors. theta energy: -150.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1842.404527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.404527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.404527 (E_RNA) where: Base-Base interactions energy: -1230.483 where: short stacking energy: -548.518 Base-Backbone interact. energy: -2.914 local terms energy: -609.007775 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -142.291 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -132.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1717.313293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.313293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.313293 (E_RNA) where: Base-Base interactions energy: -1184.721 where: short stacking energy: -502.320 Base-Backbone interact. energy: -0.951 local terms energy: -531.641273 where: bonds (distance) C4'-P energy: -108.570 bonds (distance) P-C4' energy: -102.640 flat angles C4'-P-C4' energy: -125.562 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: -126.278 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: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1443.399732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.399732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.399732 (E_RNA) where: Base-Base interactions energy: -973.937 where: short stacking energy: -422.950 Base-Backbone interact. energy: -1.841 local terms energy: -467.621673 where: bonds (distance) C4'-P energy: -96.606 bonds (distance) P-C4' energy: -109.131 flat angles C4'-P-C4' energy: -131.669 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: -77.169 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: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1070.942858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.942858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.942858 (E_RNA) where: Base-Base interactions energy: -677.434 where: short stacking energy: -327.129 Base-Backbone interact. energy: -3.213 local terms energy: -390.296092 where: bonds (distance) C4'-P energy: -92.274 bonds (distance) P-C4' energy: -115.923 flat angles C4'-P-C4' energy: -115.654 flat angles P-C4'-P energy: -42.949 tors. eta vs tors. theta energy: -23.495 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2505.419543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.419543 (E_RNA) where: Base-Base interactions energy: -1741.732 where: short stacking energy: -778.011 Base-Backbone interact. energy: -2.579 local terms energy: -761.108750 where: bonds (distance) C4'-P energy: -137.204 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -165.111 flat angles P-C4'-P energy: -100.353 tors. eta vs tors. theta energy: -213.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2440.271285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.271285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.271285 (E_RNA) where: Base-Base interactions energy: -1744.426 where: short stacking energy: -711.757 Base-Backbone interact. energy: -2.229 local terms energy: -693.616062 where: bonds (distance) C4'-P energy: -114.559 bonds (distance) P-C4' energy: -131.419 flat angles C4'-P-C4' energy: -153.415 flat angles P-C4'-P energy: -113.393 tors. eta vs tors. theta energy: -180.830 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2358.363912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.363912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.363912 (E_RNA) where: Base-Base interactions energy: -1639.140 where: short stacking energy: -697.927 Base-Backbone interact. energy: -4.950 local terms energy: -714.273938 where: bonds (distance) C4'-P energy: -127.834 bonds (distance) P-C4' energy: -139.573 flat angles C4'-P-C4' energy: -149.371 flat angles P-C4'-P energy: -103.584 tors. eta vs tors. theta energy: -193.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2216.591701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.591701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.591701 (E_RNA) where: Base-Base interactions energy: -1543.373 where: short stacking energy: -698.640 Base-Backbone interact. energy: -4.176 local terms energy: -669.042268 where: bonds (distance) C4'-P energy: -96.475 bonds (distance) P-C4' energy: -128.936 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -193.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2141.867192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.867192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.867192 (E_RNA) where: Base-Base interactions energy: -1478.580 where: short stacking energy: -654.300 Base-Backbone interact. energy: -2.481 local terms energy: -660.805834 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -119.513 flat angles C4'-P-C4' energy: -155.239 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -171.577 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: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1884.870702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.870702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.870702 (E_RNA) where: Base-Base interactions energy: -1282.304 where: short stacking energy: -558.109 Base-Backbone interact. energy: -3.373 local terms energy: -599.194071 where: bonds (distance) C4'-P energy: -122.827 bonds (distance) P-C4' energy: -115.462 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -84.644 tors. eta vs tors. theta energy: -135.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1899.839532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.839532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.839532 (E_RNA) where: Base-Base interactions energy: -1325.741 where: short stacking energy: -570.543 Base-Backbone interact. energy: -0.549 local terms energy: -573.549637 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -125.700 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -128.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1727.659123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.659123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.659123 (E_RNA) where: Base-Base interactions energy: -1173.171 where: short stacking energy: -483.701 Base-Backbone interact. energy: -0.702 local terms energy: -553.786261 where: bonds (distance) C4'-P energy: -101.568 bonds (distance) P-C4' energy: -134.307 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -109.844 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: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1512.575247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.575247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.575247 (E_RNA) where: Base-Base interactions energy: -1020.007 where: short stacking energy: -441.551 Base-Backbone interact. energy: 3.066 local terms energy: -495.634936 where: bonds (distance) C4'-P energy: -122.530 bonds (distance) P-C4' energy: -121.274 flat angles C4'-P-C4' energy: -118.683 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -89.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1107.355840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.355840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.355840 (E_RNA) where: Base-Base interactions energy: -689.762 where: short stacking energy: -320.744 Base-Backbone interact. energy: -4.013 local terms energy: -413.580700 where: bonds (distance) C4'-P energy: -104.245 bonds (distance) P-C4' energy: -109.697 flat angles C4'-P-C4' energy: -104.636 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -46.802 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: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2517.935161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.935161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.935161 (E_RNA) where: Base-Base interactions energy: -1792.037 where: short stacking energy: -729.165 Base-Backbone interact. energy: -5.427 local terms energy: -720.471213 where: bonds (distance) C4'-P energy: -135.778 bonds (distance) P-C4' energy: -134.460 flat angles C4'-P-C4' energy: -154.838 flat angles P-C4'-P energy: -105.423 tors. eta vs tors. theta energy: -189.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2456.396284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.396284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.396284 (E_RNA) where: Base-Base interactions energy: -1714.705 where: short stacking energy: -769.232 Base-Backbone interact. energy: -2.127 local terms energy: -739.564364 where: bonds (distance) C4'-P energy: -134.757 bonds (distance) P-C4' energy: -128.945 flat angles C4'-P-C4' energy: -149.879 flat angles P-C4'-P energy: -108.513 tors. eta vs tors. theta energy: -217.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2368.686325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.686325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.686325 (E_RNA) where: Base-Base interactions energy: -1651.829 where: short stacking energy: -714.114 Base-Backbone interact. energy: -0.853 local terms energy: -716.004366 where: bonds (distance) C4'-P energy: -124.898 bonds (distance) P-C4' energy: -135.520 flat angles C4'-P-C4' energy: -142.896 flat angles P-C4'-P energy: -104.240 tors. eta vs tors. theta energy: -208.450 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: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2185.038352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.038352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.038352 (E_RNA) where: Base-Base interactions energy: -1539.501 where: short stacking energy: -682.974 Base-Backbone interact. energy: -2.997 local terms energy: -642.540710 where: bonds (distance) C4'-P energy: -117.572 bonds (distance) P-C4' energy: -108.438 flat angles C4'-P-C4' energy: -136.919 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -186.878 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: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2144.633593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.633593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.633593 (E_RNA) where: Base-Base interactions energy: -1470.119 where: short stacking energy: -662.812 Base-Backbone interact. energy: -2.278 local terms energy: -672.236567 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -117.402 flat angles C4'-P-C4' energy: -132.764 flat angles P-C4'-P energy: -102.552 tors. eta vs tors. theta energy: -191.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1919.672061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.672061 (E_RNA) where: Base-Base interactions energy: -1355.218 where: short stacking energy: -610.329 Base-Backbone interact. energy: -1.693 local terms energy: -562.761103 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -73.173 tors. eta vs tors. theta energy: -153.232 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: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1876.260343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.260343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.260343 (E_RNA) where: Base-Base interactions energy: -1330.240 where: short stacking energy: -574.769 Base-Backbone interact. energy: -1.295 local terms energy: -544.725171 where: bonds (distance) C4'-P energy: -90.004 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -85.813 tors. eta vs tors. theta energy: -136.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1672.318368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.318368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.318368 (E_RNA) where: Base-Base interactions energy: -1161.221 where: short stacking energy: -495.695 Base-Backbone interact. energy: 3.762 local terms energy: -514.859642 where: bonds (distance) C4'-P energy: -108.588 bonds (distance) P-C4' energy: -111.636 flat angles C4'-P-C4' energy: -111.619 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: -110.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1497.004693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.004693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.004693 (E_RNA) where: Base-Base interactions energy: -996.033 where: short stacking energy: -430.534 Base-Backbone interact. energy: 9.336 local terms energy: -510.307703 where: bonds (distance) C4'-P energy: -109.804 bonds (distance) P-C4' energy: -118.612 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -80.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1130.932714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.932714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.932714 (E_RNA) where: Base-Base interactions energy: -710.394 where: short stacking energy: -339.012 Base-Backbone interact. energy: -0.055 local terms energy: -420.483121 where: bonds (distance) C4'-P energy: -130.286 bonds (distance) P-C4' energy: -106.268 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -40.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2466.102191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.102191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.102191 (E_RNA) where: Base-Base interactions energy: -1738.184 where: short stacking energy: -715.769 Base-Backbone interact. energy: 3.027 local terms energy: -730.944705 where: bonds (distance) C4'-P energy: -145.153 bonds (distance) P-C4' energy: -138.743 flat angles C4'-P-C4' energy: -154.209 flat angles P-C4'-P energy: -103.545 tors. eta vs tors. theta energy: -189.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2436.035214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.035214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.035214 (E_RNA) where: Base-Base interactions energy: -1713.076 where: short stacking energy: -746.963 Base-Backbone interact. energy: -5.438 local terms energy: -717.521578 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -126.119 flat angles C4'-P-C4' energy: -155.805 flat angles P-C4'-P energy: -99.736 tors. eta vs tors. theta energy: -209.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2351.416187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.416187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.416187 (E_RNA) where: Base-Base interactions energy: -1628.035 where: short stacking energy: -718.496 Base-Backbone interact. energy: -1.228 local terms energy: -722.153072 where: bonds (distance) C4'-P energy: -124.786 bonds (distance) P-C4' energy: -137.945 flat angles C4'-P-C4' energy: -147.799 flat angles P-C4'-P energy: -100.574 tors. eta vs tors. theta energy: -211.049 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2241.473166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.473166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.473166 (E_RNA) where: Base-Base interactions energy: -1557.736 where: short stacking energy: -669.404 Base-Backbone interact. energy: -0.144 local terms energy: -683.593059 where: bonds (distance) C4'-P energy: -126.629 bonds (distance) P-C4' energy: -134.272 flat angles C4'-P-C4' energy: -146.852 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -179.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2149.919065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.919065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.919065 (E_RNA) where: Base-Base interactions energy: -1486.190 where: short stacking energy: -651.822 Base-Backbone interact. energy: -0.694 local terms energy: -663.034514 where: bonds (distance) C4'-P energy: -116.901 bonds (distance) P-C4' energy: -137.355 flat angles C4'-P-C4' energy: -144.098 flat angles P-C4'-P energy: -92.342 tors. eta vs tors. theta energy: -172.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1956.369655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.369655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.369655 (E_RNA) where: Base-Base interactions energy: -1340.712 where: short stacking energy: -580.646 Base-Backbone interact. energy: 2.263 local terms energy: -617.920836 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -129.232 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -146.710 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: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1864.741582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.741582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.741582 (E_RNA) where: Base-Base interactions energy: -1270.392 where: short stacking energy: -558.884 Base-Backbone interact. energy: 1.741 local terms energy: -596.091238 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -124.243 flat angles C4'-P-C4' energy: -132.831 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -125.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1703.764082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.764082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.764082 (E_RNA) where: Base-Base interactions energy: -1153.958 where: short stacking energy: -496.173 Base-Backbone interact. energy: 0.374 local terms energy: -550.179263 where: bonds (distance) C4'-P energy: -110.356 bonds (distance) P-C4' energy: -108.485 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -120.171 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: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1483.573589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.573589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.573589 (E_RNA) where: Base-Base interactions energy: -1004.599 where: short stacking energy: -465.180 Base-Backbone interact. energy: -1.110 local terms energy: -477.864180 where: bonds (distance) C4'-P energy: -94.779 bonds (distance) P-C4' energy: -108.568 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -68.587 tors. eta vs tors. theta energy: -97.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1090.004611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.004611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.004611 (E_RNA) where: Base-Base interactions energy: -684.021 where: short stacking energy: -313.180 Base-Backbone interact. energy: -1.526 local terms energy: -404.457824 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -95.497 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -48.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2484.722208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.722208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.722208 (E_RNA) where: Base-Base interactions energy: -1772.278 where: short stacking energy: -720.699 Base-Backbone interact. energy: 3.385 local terms energy: -715.829380 where: bonds (distance) C4'-P energy: -136.128 bonds (distance) P-C4' energy: -138.203 flat angles C4'-P-C4' energy: -146.413 flat angles P-C4'-P energy: -103.242 tors. eta vs tors. theta energy: -191.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2443.126574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.126574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.126574 (E_RNA) where: Base-Base interactions energy: -1728.286 where: short stacking energy: -772.955 Base-Backbone interact. energy: -5.099 local terms energy: -709.742308 where: bonds (distance) C4'-P energy: -128.014 bonds (distance) P-C4' energy: -113.368 flat angles C4'-P-C4' energy: -153.694 flat angles P-C4'-P energy: -105.685 tors. eta vs tors. theta energy: -208.981 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2369.984663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.984663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.984663 (E_RNA) where: Base-Base interactions energy: -1661.098 where: short stacking energy: -695.664 Base-Backbone interact. energy: -1.733 local terms energy: -707.153472 where: bonds (distance) C4'-P energy: -142.085 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -144.232 flat angles P-C4'-P energy: -108.751 tors. eta vs tors. theta energy: -192.602 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: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2234.704280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.704280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.704280 (E_RNA) where: Base-Base interactions energy: -1573.717 where: short stacking energy: -677.770 Base-Backbone interact. energy: 1.831 local terms energy: -662.818910 where: bonds (distance) C4'-P energy: -118.081 bonds (distance) P-C4' energy: -126.419 flat angles C4'-P-C4' energy: -141.137 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -173.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2100.865932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.865932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.865932 (E_RNA) where: Base-Base interactions energy: -1470.985 where: short stacking energy: -626.250 Base-Backbone interact. energy: -2.705 local terms energy: -627.175833 where: bonds (distance) C4'-P energy: -106.228 bonds (distance) P-C4' energy: -120.489 flat angles C4'-P-C4' energy: -141.284 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -157.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1964.913430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.913430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.913430 (E_RNA) where: Base-Base interactions energy: -1348.480 where: short stacking energy: -604.034 Base-Backbone interact. energy: -0.341 local terms energy: -616.093159 where: bonds (distance) C4'-P energy: -122.680 bonds (distance) P-C4' energy: -115.818 flat angles C4'-P-C4' energy: -147.203 flat angles P-C4'-P energy: -80.599 tors. eta vs tors. theta energy: -149.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1870.612189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.612189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.612189 (E_RNA) where: Base-Base interactions energy: -1306.147 where: short stacking energy: -572.713 Base-Backbone interact. energy: 4.437 local terms energy: -568.902877 where: bonds (distance) C4'-P energy: -104.094 bonds (distance) P-C4' energy: -112.072 flat angles C4'-P-C4' energy: -122.361 flat angles P-C4'-P energy: -98.621 tors. eta vs tors. theta energy: -131.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1688.689904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.689904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.689904 (E_RNA) where: Base-Base interactions energy: -1148.488 where: short stacking energy: -497.109 Base-Backbone interact. energy: -2.364 local terms energy: -537.838691 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -125.328 flat angles C4'-P-C4' energy: -123.020 flat angles P-C4'-P energy: -83.739 tors. eta vs tors. theta energy: -115.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1487.507683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.507683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.507683 (E_RNA) where: Base-Base interactions energy: -996.874 where: short stacking energy: -431.214 Base-Backbone interact. energy: -0.057 local terms energy: -490.576919 where: bonds (distance) C4'-P energy: -118.535 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -113.223 flat angles P-C4'-P energy: -60.825 tors. eta vs tors. theta energy: -81.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1019.454977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.454977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.454977 (E_RNA) where: Base-Base interactions energy: -626.136 where: short stacking energy: -314.672 Base-Backbone interact. energy: 3.122 local terms energy: -396.440866 where: bonds (distance) C4'-P energy: -102.958 bonds (distance) P-C4' energy: -95.612 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -24.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2463.247255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.247255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.247255 (E_RNA) where: Base-Base interactions energy: -1740.340 where: short stacking energy: -701.218 Base-Backbone interact. energy: -3.121 local terms energy: -719.786360 where: bonds (distance) C4'-P energy: -133.217 bonds (distance) P-C4' energy: -131.373 flat angles C4'-P-C4' energy: -156.459 flat angles P-C4'-P energy: -98.783 tors. eta vs tors. theta energy: -199.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2434.708425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.708425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.708425 (E_RNA) where: Base-Base interactions energy: -1702.953 where: short stacking energy: -760.338 Base-Backbone interact. energy: -0.463 local terms energy: -731.292833 where: bonds (distance) C4'-P energy: -123.089 bonds (distance) P-C4' energy: -139.775 flat angles C4'-P-C4' energy: -147.932 flat angles P-C4'-P energy: -106.666 tors. eta vs tors. theta energy: -213.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2366.732680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.732680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.732680 (E_RNA) where: Base-Base interactions energy: -1641.423 where: short stacking energy: -705.739 Base-Backbone interact. energy: -0.149 local terms energy: -725.160225 where: bonds (distance) C4'-P energy: -128.369 bonds (distance) P-C4' energy: -129.350 flat angles C4'-P-C4' energy: -162.831 flat angles P-C4'-P energy: -106.832 tors. eta vs tors. theta energy: -197.779 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: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2267.196600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.196600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.196600 (E_RNA) where: Base-Base interactions energy: -1591.692 where: short stacking energy: -693.002 Base-Backbone interact. energy: -2.439 local terms energy: -673.066190 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -122.096 flat angles C4'-P-C4' energy: -141.198 flat angles P-C4'-P energy: -96.862 tors. eta vs tors. theta energy: -187.588 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: 333 Temperature: 1.100000 Total energy: -2127.501959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.501959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.501959 (E_RNA) where: Base-Base interactions energy: -1467.006 where: short stacking energy: -638.669 Base-Backbone interact. energy: -1.829 local terms energy: -658.666829 where: bonds (distance) C4'-P energy: -132.062 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -141.999 flat angles P-C4'-P energy: -84.053 tors. eta vs tors. theta energy: -175.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1962.855410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.855410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.855410 (E_RNA) where: Base-Base interactions energy: -1337.771 where: short stacking energy: -609.835 Base-Backbone interact. energy: -0.057 local terms energy: -625.027039 where: bonds (distance) C4'-P energy: -127.919 bonds (distance) P-C4' energy: -127.818 flat angles C4'-P-C4' energy: -131.997 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -143.173 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: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1943.152549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.152549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.152549 (E_RNA) where: Base-Base interactions energy: -1371.047 where: short stacking energy: -583.778 Base-Backbone interact. energy: -2.064 local terms energy: -570.041858 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -108.771 flat angles C4'-P-C4' energy: -117.657 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -145.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1641.785543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.785543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.785543 (E_RNA) where: Base-Base interactions energy: -1114.500 where: short stacking energy: -498.722 Base-Backbone interact. energy: 0.021 local terms energy: -527.306467 where: bonds (distance) C4'-P energy: -114.266 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -77.391 tors. eta vs tors. theta energy: -119.119 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: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1388.264206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.264206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.264206 (E_RNA) where: Base-Base interactions energy: -946.757 where: short stacking energy: -425.437 Base-Backbone interact. energy: 2.030 local terms energy: -443.537283 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -110.107 flat angles C4'-P-C4' energy: -98.850 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -70.436 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1002.007480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.007480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.007480 (E_RNA) where: Base-Base interactions energy: -591.288 where: short stacking energy: -279.069 Base-Backbone interact. energy: -2.022 local terms energy: -408.697936 where: bonds (distance) C4'-P energy: -124.709 bonds (distance) P-C4' energy: -127.395 flat angles C4'-P-C4' energy: -98.770 flat angles P-C4'-P energy: -48.831 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: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2522.799399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.799399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.799399 (E_RNA) where: Base-Base interactions energy: -1755.953 where: short stacking energy: -771.211 Base-Backbone interact. energy: -3.348 local terms energy: -763.498285 where: bonds (distance) C4'-P energy: -122.483 bonds (distance) P-C4' energy: -154.199 flat angles C4'-P-C4' energy: -162.162 flat angles P-C4'-P energy: -104.958 tors. eta vs tors. theta energy: -219.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2431.351016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.351016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.351016 (E_RNA) where: Base-Base interactions energy: -1710.040 where: short stacking energy: -710.814 Base-Backbone interact. energy: -3.999 local terms energy: -717.311970 where: bonds (distance) C4'-P energy: -120.692 bonds (distance) P-C4' energy: -132.005 flat angles C4'-P-C4' energy: -163.605 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -199.870 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2357.815730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.815730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.815730 (E_RNA) where: Base-Base interactions energy: -1648.527 where: short stacking energy: -692.146 Base-Backbone interact. energy: -3.162 local terms energy: -706.126491 where: bonds (distance) C4'-P energy: -127.377 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -150.482 flat angles P-C4'-P energy: -99.725 tors. eta vs tors. theta energy: -199.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2196.341634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.341634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.341634 (E_RNA) where: Base-Base interactions energy: -1500.714 where: short stacking energy: -665.435 Base-Backbone interact. energy: -2.743 local terms energy: -692.884784 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -162.500 flat angles P-C4'-P energy: -98.024 tors. eta vs tors. theta energy: -187.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2139.125760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.125760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.125760 (E_RNA) where: Base-Base interactions energy: -1510.508 where: short stacking energy: -645.361 Base-Backbone interact. energy: -1.059 local terms energy: -627.559095 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -118.969 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -82.120 tors. eta vs tors. theta energy: -180.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1892.475789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.475789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.475789 (E_RNA) where: Base-Base interactions energy: -1303.415 where: short stacking energy: -536.727 Base-Backbone interact. energy: -1.975 local terms energy: -587.086040 where: bonds (distance) C4'-P energy: -111.225 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -140.179 flat angles P-C4'-P energy: -75.295 tors. eta vs tors. theta energy: -131.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1902.766721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.766721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.766721 (E_RNA) where: Base-Base interactions energy: -1347.098 where: short stacking energy: -576.352 Base-Backbone interact. energy: -1.909 local terms energy: -553.759723 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -120.955 flat angles C4'-P-C4' energy: -116.128 flat angles P-C4'-P energy: -85.928 tors. eta vs tors. theta energy: -129.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1660.679432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.679432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.679432 (E_RNA) where: Base-Base interactions energy: -1175.198 where: short stacking energy: -485.858 Base-Backbone interact. energy: -0.957 local terms energy: -484.524363 where: bonds (distance) C4'-P energy: -98.330 bonds (distance) P-C4' energy: -89.814 flat angles C4'-P-C4' energy: -129.801 flat angles P-C4'-P energy: -61.300 tors. eta vs tors. theta energy: -105.278 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: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1367.176075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.176075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.176075 (E_RNA) where: Base-Base interactions energy: -881.060 where: short stacking energy: -410.624 Base-Backbone interact. energy: -2.833 local terms energy: -483.283190 where: bonds (distance) C4'-P energy: -108.849 bonds (distance) P-C4' energy: -121.531 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -80.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -981.128751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.128751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.128751 (E_RNA) where: Base-Base interactions energy: -574.757 where: short stacking energy: -282.702 Base-Backbone interact. energy: 2.095 local terms energy: -408.466136 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -129.058 flat angles C4'-P-C4' energy: -85.310 flat angles P-C4'-P energy: -59.642 tors. eta vs tors. theta energy: -28.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2530.483669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.483669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.483669 (E_RNA) where: Base-Base interactions energy: -1765.021 where: short stacking energy: -779.224 Base-Backbone interact. energy: -3.096 local terms energy: -762.366498 where: bonds (distance) C4'-P energy: -130.673 bonds (distance) P-C4' energy: -150.009 flat angles C4'-P-C4' energy: -158.371 flat angles P-C4'-P energy: -105.652 tors. eta vs tors. theta energy: -217.662 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: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2465.691229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.691229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.691229 (E_RNA) where: Base-Base interactions energy: -1744.722 where: short stacking energy: -743.738 Base-Backbone interact. energy: -2.320 local terms energy: -718.648951 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -128.836 flat angles C4'-P-C4' energy: -155.342 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -212.546 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: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2354.611746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.611746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.611746 (E_RNA) where: Base-Base interactions energy: -1642.104 where: short stacking energy: -687.560 Base-Backbone interact. energy: 1.495 local terms energy: -714.002832 where: bonds (distance) C4'-P energy: -126.647 bonds (distance) P-C4' energy: -141.011 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -71.584 tors. eta vs tors. theta energy: -214.782 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: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2231.508070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.508070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.508070 (E_RNA) where: Base-Base interactions energy: -1552.031 where: short stacking energy: -698.091 Base-Backbone interact. energy: -2.357 local terms energy: -677.119183 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -140.285 flat angles C4'-P-C4' energy: -133.134 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -194.976 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: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2140.107759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.107759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.107759 (E_RNA) where: Base-Base interactions energy: -1499.309 where: short stacking energy: -640.132 Base-Backbone interact. energy: -1.256 local terms energy: -639.543644 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -117.876 flat angles C4'-P-C4' energy: -138.943 flat angles P-C4'-P energy: -92.642 tors. eta vs tors. theta energy: -176.043 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: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1946.112906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.112906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.112906 (E_RNA) where: Base-Base interactions energy: -1321.258 where: short stacking energy: -595.596 Base-Backbone interact. energy: -1.228 local terms energy: -623.627243 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -135.962 flat angles C4'-P-C4' energy: -141.805 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -151.561 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: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1881.033499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.033499 (E_RNA) where: Base-Base interactions energy: -1335.961 where: short stacking energy: -562.742 Base-Backbone interact. energy: -0.726 local terms energy: -544.345964 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -105.232 flat angles C4'-P-C4' energy: -110.154 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -125.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1713.591707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.591707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.591707 (E_RNA) where: Base-Base interactions energy: -1162.940 where: short stacking energy: -493.246 Base-Backbone interact. energy: -2.545 local terms energy: -548.107086 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -123.672 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -116.376 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: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1416.613184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.613184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.613184 (E_RNA) where: Base-Base interactions energy: -933.437 where: short stacking energy: -403.804 Base-Backbone interact. energy: -2.289 local terms energy: -480.887482 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -98.012 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -82.772 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: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1041.201632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.201632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.201632 (E_RNA) where: Base-Base interactions energy: -623.534 where: short stacking energy: -295.056 Base-Backbone interact. energy: -0.892 local terms energy: -416.776300 where: bonds (distance) C4'-P energy: -110.765 bonds (distance) P-C4' energy: -104.303 flat angles C4'-P-C4' energy: -110.344 flat angles P-C4'-P energy: -69.778 tors. eta vs tors. theta energy: -21.586 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: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2492.454622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.454622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.454622 (E_RNA) where: Base-Base interactions energy: -1732.622 where: short stacking energy: -754.380 Base-Backbone interact. energy: -4.260 local terms energy: -755.572469 where: bonds (distance) C4'-P energy: -140.834 bonds (distance) P-C4' energy: -140.938 flat angles C4'-P-C4' energy: -157.518 flat angles P-C4'-P energy: -110.605 tors. eta vs tors. theta energy: -205.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2409.038706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.038706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.038706 (E_RNA) where: Base-Base interactions energy: -1687.672 where: short stacking energy: -707.178 Base-Backbone interact. energy: -2.605 local terms energy: -718.760771 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -134.717 flat angles C4'-P-C4' energy: -143.652 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -191.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2338.880981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.880981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.880981 (E_RNA) where: Base-Base interactions energy: -1625.568 where: short stacking energy: -675.720 Base-Backbone interact. energy: -2.143 local terms energy: -711.170111 where: bonds (distance) C4'-P energy: -134.275 bonds (distance) P-C4' energy: -129.586 flat angles C4'-P-C4' energy: -141.069 flat angles P-C4'-P energy: -97.610 tors. eta vs tors. theta energy: -208.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2259.623956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.623956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.623956 (E_RNA) where: Base-Base interactions energy: -1564.051 where: short stacking energy: -695.005 Base-Backbone interact. energy: -0.901 local terms energy: -694.671890 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -129.789 flat angles C4'-P-C4' energy: -159.320 flat angles P-C4'-P energy: -87.382 tors. eta vs tors. theta energy: -190.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2096.628032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.628032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.628032 (E_RNA) where: Base-Base interactions energy: -1446.589 where: short stacking energy: -598.870 Base-Backbone interact. energy: -2.817 local terms energy: -647.221514 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -120.988 flat angles C4'-P-C4' energy: -144.332 flat angles P-C4'-P energy: -106.694 tors. eta vs tors. theta energy: -167.266 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: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1997.887412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.887412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.887412 (E_RNA) where: Base-Base interactions energy: -1386.021 where: short stacking energy: -573.776 Base-Backbone interact. energy: -4.377 local terms energy: -607.489341 where: bonds (distance) C4'-P energy: -120.235 bonds (distance) P-C4' energy: -120.089 flat angles C4'-P-C4' energy: -142.261 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -141.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1873.834125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.834125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.834125 (E_RNA) where: Base-Base interactions energy: -1304.228 where: short stacking energy: -577.443 Base-Backbone interact. energy: -2.522 local terms energy: -567.084781 where: bonds (distance) C4'-P energy: -104.746 bonds (distance) P-C4' energy: -105.155 flat angles C4'-P-C4' energy: -134.774 flat angles P-C4'-P energy: -82.571 tors. eta vs tors. theta energy: -139.839 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1679.827247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.827247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.827247 (E_RNA) where: Base-Base interactions energy: -1162.869 where: short stacking energy: -484.387 Base-Backbone interact. energy: 1.670 local terms energy: -518.627887 where: bonds (distance) C4'-P energy: -110.608 bonds (distance) P-C4' energy: -120.272 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -98.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1414.456047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.456047 (E_RNA) where: Base-Base interactions energy: -933.344 where: short stacking energy: -419.272 Base-Backbone interact. energy: -4.138 local terms energy: -476.973952 where: bonds (distance) C4'-P energy: -107.272 bonds (distance) P-C4' energy: -106.207 flat angles C4'-P-C4' energy: -111.707 flat angles P-C4'-P energy: -77.978 tors. eta vs tors. theta energy: -73.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -982.554486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.554486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.554486 (E_RNA) where: Base-Base interactions energy: -582.647 where: short stacking energy: -290.848 Base-Backbone interact. energy: -2.256 local terms energy: -397.651858 where: bonds (distance) C4'-P energy: -118.981 bonds (distance) P-C4' energy: -112.385 flat angles C4'-P-C4' energy: -100.989 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: -18.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2516.150572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.150572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.150572 (E_RNA) where: Base-Base interactions energy: -1772.951 where: short stacking energy: -783.329 Base-Backbone interact. energy: -2.822 local terms energy: -740.376847 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -142.397 flat angles C4'-P-C4' energy: -145.637 flat angles P-C4'-P energy: -100.053 tors. eta vs tors. theta energy: -218.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2440.181036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.181036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.181036 (E_RNA) where: Base-Base interactions energy: -1735.833 where: short stacking energy: -720.157 Base-Backbone interact. energy: -3.848 local terms energy: -700.499466 where: bonds (distance) C4'-P energy: -128.444 bonds (distance) P-C4' energy: -128.964 flat angles C4'-P-C4' energy: -156.474 flat angles P-C4'-P energy: -87.805 tors. eta vs tors. theta energy: -198.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2344.190453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.190453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.190453 (E_RNA) where: Base-Base interactions energy: -1659.896 where: short stacking energy: -699.230 Base-Backbone interact. energy: -1.810 local terms energy: -682.484537 where: bonds (distance) C4'-P energy: -121.889 bonds (distance) P-C4' energy: -122.964 flat angles C4'-P-C4' energy: -137.960 flat angles P-C4'-P energy: -107.745 tors. eta vs tors. theta energy: -191.926 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: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2230.873604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.873604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.873604 (E_RNA) where: Base-Base interactions energy: -1564.090 where: short stacking energy: -691.692 Base-Backbone interact. energy: 0.650 local terms energy: -667.432748 where: bonds (distance) C4'-P energy: -104.082 bonds (distance) P-C4' energy: -124.172 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -207.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2097.566100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.566100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.566100 (E_RNA) where: Base-Base interactions energy: -1491.570 where: short stacking energy: -630.731 Base-Backbone interact. energy: -3.402 local terms energy: -602.593755 where: bonds (distance) C4'-P energy: -120.528 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -137.805 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -155.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2018.540916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.540916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.540916 (E_RNA) where: Base-Base interactions energy: -1394.488 where: short stacking energy: -586.366 Base-Backbone interact. energy: -0.499 local terms energy: -623.553851 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -139.872 flat angles C4'-P-C4' energy: -130.980 flat angles P-C4'-P energy: -85.342 tors. eta vs tors. theta energy: -153.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1832.115569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.115569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.115569 (E_RNA) where: Base-Base interactions energy: -1254.900 where: short stacking energy: -565.023 Base-Backbone interact. energy: -2.937 local terms energy: -574.278154 where: bonds (distance) C4'-P energy: -113.511 bonds (distance) P-C4' energy: -112.514 flat angles C4'-P-C4' energy: -125.109 flat angles P-C4'-P energy: -90.950 tors. eta vs tors. theta energy: -132.194 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: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1725.677432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.677432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.677432 (E_RNA) where: Base-Base interactions energy: -1169.375 where: short stacking energy: -498.993 Base-Backbone interact. energy: -1.049 local terms energy: -555.253988 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -136.130 flat angles P-C4'-P energy: -77.547 tors. eta vs tors. theta energy: -119.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1483.042637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.042637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.042637 (E_RNA) where: Base-Base interactions energy: -986.186 where: short stacking energy: -429.163 Base-Backbone interact. energy: 0.335 local terms energy: -497.191203 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -109.518 flat angles C4'-P-C4' energy: -124.550 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: -92.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1000.178248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.178248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.178248 (E_RNA) where: Base-Base interactions energy: -600.224 where: short stacking energy: -283.098 Base-Backbone interact. energy: -0.008 local terms energy: -399.946319 where: bonds (distance) C4'-P energy: -118.820 bonds (distance) P-C4' energy: -97.727 flat angles C4'-P-C4' energy: -117.185 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2520.303533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.303533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.303533 (E_RNA) where: Base-Base interactions energy: -1777.953 where: short stacking energy: -749.179 Base-Backbone interact. energy: -1.517 local terms energy: -740.833101 where: bonds (distance) C4'-P energy: -127.161 bonds (distance) P-C4' energy: -143.500 flat angles C4'-P-C4' energy: -158.813 flat angles P-C4'-P energy: -110.207 tors. eta vs tors. theta energy: -201.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2459.732785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.732785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.732785 (E_RNA) where: Base-Base interactions energy: -1727.346 where: short stacking energy: -735.110 Base-Backbone interact. energy: -2.968 local terms energy: -729.419529 where: bonds (distance) C4'-P energy: -119.113 bonds (distance) P-C4' energy: -134.684 flat angles C4'-P-C4' energy: -155.458 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -214.836 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: 338 Temperature: 1.000000 Total energy: -2349.675021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.675021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.675021 (E_RNA) where: Base-Base interactions energy: -1664.791 where: short stacking energy: -686.834 Base-Backbone interact. energy: 0.674 local terms energy: -685.557625 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -127.413 flat angles C4'-P-C4' energy: -143.971 flat angles P-C4'-P energy: -91.137 tors. eta vs tors. theta energy: -192.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2227.900592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.900592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.900592 (E_RNA) where: Base-Base interactions energy: -1578.326 where: short stacking energy: -672.328 Base-Backbone interact. energy: -0.882 local terms energy: -648.692575 where: bonds (distance) C4'-P energy: -125.888 bonds (distance) P-C4' energy: -124.891 flat angles C4'-P-C4' energy: -143.526 flat angles P-C4'-P energy: -75.370 tors. eta vs tors. theta energy: -179.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2147.711723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.711723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.711723 (E_RNA) where: Base-Base interactions energy: -1511.699 where: short stacking energy: -627.418 Base-Backbone interact. energy: -3.970 local terms energy: -632.042425 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -128.440 flat angles C4'-P-C4' energy: -144.386 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -156.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2024.842188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.842188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.842188 (E_RNA) where: Base-Base interactions energy: -1411.313 where: short stacking energy: -611.852 Base-Backbone interact. energy: 4.488 local terms energy: -618.017949 where: bonds (distance) C4'-P energy: -115.342 bonds (distance) P-C4' energy: -116.342 flat angles C4'-P-C4' energy: -141.570 flat angles P-C4'-P energy: -84.869 tors. eta vs tors. theta energy: -159.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1834.605000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.605000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.605000 (E_RNA) where: Base-Base interactions energy: -1271.697 where: short stacking energy: -551.171 Base-Backbone interact. energy: -4.768 local terms energy: -558.139823 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -120.346 flat angles C4'-P-C4' energy: -117.799 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -118.189 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: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1675.700417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.700417 (E_RNA) where: Base-Base interactions energy: -1132.902 where: short stacking energy: -501.979 Base-Backbone interact. energy: -0.533 local terms energy: -542.265277 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -120.611 flat angles C4'-P-C4' energy: -115.910 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -108.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1505.907515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.907515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.907515 (E_RNA) where: Base-Base interactions energy: -998.960 where: short stacking energy: -454.761 Base-Backbone interact. energy: -1.710 local terms energy: -505.237869 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -124.028 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -99.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1013.776377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.776377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.776377 (E_RNA) where: Base-Base interactions energy: -589.555 where: short stacking energy: -288.954 Base-Backbone interact. energy: 1.571 local terms energy: -425.792176 where: bonds (distance) C4'-P energy: -90.883 bonds (distance) P-C4' energy: -116.461 flat angles C4'-P-C4' energy: -108.170 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -38.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2541.079904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.079904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.079904 (E_RNA) where: Base-Base interactions energy: -1773.877 where: short stacking energy: -748.131 Base-Backbone interact. energy: -2.280 local terms energy: -764.923321 where: bonds (distance) C4'-P energy: -149.677 bonds (distance) P-C4' energy: -143.384 flat angles C4'-P-C4' energy: -161.225 flat angles P-C4'-P energy: -99.862 tors. eta vs tors. theta energy: -210.776 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2448.979596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.979596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.979596 (E_RNA) where: Base-Base interactions energy: -1707.491 where: short stacking energy: -744.405 Base-Backbone interact. energy: -3.325 local terms energy: -738.163122 where: bonds (distance) C4'-P energy: -140.416 bonds (distance) P-C4' energy: -123.481 flat angles C4'-P-C4' energy: -158.790 flat angles P-C4'-P energy: -106.789 tors. eta vs tors. theta energy: -208.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2326.646871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.646871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.646871 (E_RNA) where: Base-Base interactions energy: -1647.599 where: short stacking energy: -678.269 Base-Backbone interact. energy: -4.194 local terms energy: -674.853503 where: bonds (distance) C4'-P energy: -131.292 bonds (distance) P-C4' energy: -117.976 flat angles C4'-P-C4' energy: -135.861 flat angles P-C4'-P energy: -100.460 tors. eta vs tors. theta energy: -189.264 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: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2176.037238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.037238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.037238 (E_RNA) where: Base-Base interactions energy: -1515.753 where: short stacking energy: -649.976 Base-Backbone interact. energy: -1.091 local terms energy: -659.192821 where: bonds (distance) C4'-P energy: -112.868 bonds (distance) P-C4' energy: -117.161 flat angles C4'-P-C4' energy: -149.587 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -182.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2139.604740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.604740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.604740 (E_RNA) where: Base-Base interactions energy: -1501.666 where: short stacking energy: -646.947 Base-Backbone interact. energy: -1.799 local terms energy: -636.140140 where: bonds (distance) C4'-P energy: -112.005 bonds (distance) P-C4' energy: -113.806 flat angles C4'-P-C4' energy: -143.987 flat angles P-C4'-P energy: -94.347 tors. eta vs tors. theta energy: -171.996 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: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2036.431562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.431562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.431562 (E_RNA) where: Base-Base interactions energy: -1403.939 where: short stacking energy: -610.917 Base-Backbone interact. energy: -1.078 local terms energy: -631.414515 where: bonds (distance) C4'-P energy: -138.382 bonds (distance) P-C4' energy: -109.290 flat angles C4'-P-C4' energy: -130.203 flat angles P-C4'-P energy: -96.631 tors. eta vs tors. theta energy: -156.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1828.416279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.416279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.416279 (E_RNA) where: Base-Base interactions energy: -1230.635 where: short stacking energy: -519.310 Base-Backbone interact. energy: -1.747 local terms energy: -596.034388 where: bonds (distance) C4'-P energy: -101.855 bonds (distance) P-C4' energy: -131.543 flat angles C4'-P-C4' energy: -138.513 flat angles P-C4'-P energy: -92.603 tors. eta vs tors. theta energy: -131.522 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: 339 Temperature: 1.250000 Total energy: -1683.059699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.059699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.059699 (E_RNA) where: Base-Base interactions energy: -1163.661 where: short stacking energy: -485.134 Base-Backbone interact. energy: 0.510 local terms energy: -519.907995 where: bonds (distance) C4'-P energy: -103.874 bonds (distance) P-C4' energy: -124.126 flat angles C4'-P-C4' energy: -125.523 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -101.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1442.925479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.925479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.925479 (E_RNA) where: Base-Base interactions energy: -972.248 where: short stacking energy: -430.561 Base-Backbone interact. energy: 4.130 local terms energy: -474.807235 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -114.942 flat angles C4'-P-C4' energy: -107.208 flat angles P-C4'-P energy: -63.834 tors. eta vs tors. theta energy: -82.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1021.901885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.901885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.901885 (E_RNA) where: Base-Base interactions energy: -599.345 where: short stacking energy: -300.421 Base-Backbone interact. energy: 6.306 local terms energy: -428.863779 where: bonds (distance) C4'-P energy: -113.641 bonds (distance) P-C4' energy: -119.737 flat angles C4'-P-C4' energy: -105.683 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -33.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2545.507543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.507543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.507543 (E_RNA) where: Base-Base interactions energy: -1801.029 where: short stacking energy: -777.492 Base-Backbone interact. energy: -2.658 local terms energy: -741.820724 where: bonds (distance) C4'-P energy: -136.065 bonds (distance) P-C4' energy: -142.833 flat angles C4'-P-C4' energy: -150.861 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -203.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2458.372685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.372685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.372685 (E_RNA) where: Base-Base interactions energy: -1706.853 where: short stacking energy: -746.160 Base-Backbone interact. energy: -2.683 local terms energy: -748.836654 where: bonds (distance) C4'-P energy: -145.266 bonds (distance) P-C4' energy: -130.987 flat angles C4'-P-C4' energy: -157.030 flat angles P-C4'-P energy: -99.982 tors. eta vs tors. theta energy: -215.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2330.467521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.467521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.467521 (E_RNA) where: Base-Base interactions energy: -1620.259 where: short stacking energy: -677.685 Base-Backbone interact. energy: -0.604 local terms energy: -709.604564 where: bonds (distance) C4'-P energy: -117.776 bonds (distance) P-C4' energy: -131.485 flat angles C4'-P-C4' energy: -154.992 flat angles P-C4'-P energy: -117.336 tors. eta vs tors. theta energy: -188.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2205.504126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.504126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.504126 (E_RNA) where: Base-Base interactions energy: -1531.870 where: short stacking energy: -652.033 Base-Backbone interact. energy: -1.308 local terms energy: -672.326355 where: bonds (distance) C4'-P energy: -134.552 bonds (distance) P-C4' energy: -129.417 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -164.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2143.607017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.607017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.607017 (E_RNA) where: Base-Base interactions energy: -1474.532 where: short stacking energy: -662.542 Base-Backbone interact. energy: 0.043 local terms energy: -669.118117 where: bonds (distance) C4'-P energy: -123.007 bonds (distance) P-C4' energy: -119.098 flat angles C4'-P-C4' energy: -134.016 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -191.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2020.039214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.039214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.039214 (E_RNA) where: Base-Base interactions energy: -1442.141 where: short stacking energy: -604.157 Base-Backbone interact. energy: -2.090 local terms energy: -575.807971 where: bonds (distance) C4'-P energy: -119.296 bonds (distance) P-C4' energy: -119.925 flat angles C4'-P-C4' energy: -119.764 flat angles P-C4'-P energy: -64.783 tors. eta vs tors. theta energy: -152.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1850.196225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.196225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.196225 (E_RNA) where: Base-Base interactions energy: -1294.143 where: short stacking energy: -540.045 Base-Backbone interact. energy: -0.408 local terms energy: -555.644391 where: bonds (distance) C4'-P energy: -111.931 bonds (distance) P-C4' energy: -113.169 flat angles C4'-P-C4' energy: -131.621 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -117.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1672.314897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.314897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.314897 (E_RNA) where: Base-Base interactions energy: -1137.305 where: short stacking energy: -484.734 Base-Backbone interact. energy: -1.283 local terms energy: -533.726861 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -122.191 flat angles C4'-P-C4' energy: -119.236 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -101.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1460.549238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.549238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.549238 (E_RNA) where: Base-Base interactions energy: -956.855 where: short stacking energy: -431.183 Base-Backbone interact. energy: -0.464 local terms energy: -503.230189 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -115.715 flat angles C4'-P-C4' energy: -125.395 flat angles P-C4'-P energy: -73.431 tors. eta vs tors. theta energy: -79.478 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: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1017.536201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.536201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.536201 (E_RNA) where: Base-Base interactions energy: -590.841 where: short stacking energy: -266.767 Base-Backbone interact. energy: 4.485 local terms energy: -431.181057 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -90.323 flat angles P-C4'-P energy: -74.746 tors. eta vs tors. theta energy: -28.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2516.866102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.866102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.866102 (E_RNA) where: Base-Base interactions energy: -1766.956 where: short stacking energy: -736.813 Base-Backbone interact. energy: 3.537 local terms energy: -753.446447 where: bonds (distance) C4'-P energy: -124.734 bonds (distance) P-C4' energy: -147.046 flat angles C4'-P-C4' energy: -160.004 flat angles P-C4'-P energy: -107.884 tors. eta vs tors. theta energy: -213.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2478.872825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.872825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.872825 (E_RNA) where: Base-Base interactions energy: -1735.204 where: short stacking energy: -762.734 Base-Backbone interact. energy: -2.440 local terms energy: -741.228153 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -143.287 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -104.874 tors. eta vs tors. theta energy: -207.098 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: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2381.367298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.367298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.367298 (E_RNA) where: Base-Base interactions energy: -1692.080 where: short stacking energy: -703.340 Base-Backbone interact. energy: -2.613 local terms energy: -686.674569 where: bonds (distance) C4'-P energy: -122.507 bonds (distance) P-C4' energy: -122.302 flat angles C4'-P-C4' energy: -153.429 flat angles P-C4'-P energy: -99.975 tors. eta vs tors. theta energy: -188.461 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: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2196.908961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.908961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.908961 (E_RNA) where: Base-Base interactions energy: -1511.717 where: short stacking energy: -681.388 Base-Backbone interact. energy: -0.014 local terms energy: -685.178088 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -135.173 flat angles C4'-P-C4' energy: -150.906 flat angles P-C4'-P energy: -87.485 tors. eta vs tors. theta energy: -188.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2148.953362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.953362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.953362 (E_RNA) where: Base-Base interactions energy: -1492.585 where: short stacking energy: -633.822 Base-Backbone interact. energy: -1.984 local terms energy: -654.384338 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -134.246 flat angles C4'-P-C4' energy: -145.767 flat angles P-C4'-P energy: -90.708 tors. eta vs tors. theta energy: -172.171 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: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1978.813333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.813333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.813333 (E_RNA) where: Base-Base interactions energy: -1368.517 where: short stacking energy: -607.907 Base-Backbone interact. energy: 1.111 local terms energy: -611.407167 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -127.543 flat angles C4'-P-C4' energy: -125.093 flat angles P-C4'-P energy: -89.772 tors. eta vs tors. theta energy: -143.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1871.784823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.784823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.784823 (E_RNA) where: Base-Base interactions energy: -1300.583 where: short stacking energy: -567.341 Base-Backbone interact. energy: -0.835 local terms energy: -570.366785 where: bonds (distance) C4'-P energy: -119.871 bonds (distance) P-C4' energy: -112.398 flat angles C4'-P-C4' energy: -134.290 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -119.749 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: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1616.920582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.920582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.920582 (E_RNA) where: Base-Base interactions energy: -1120.291 where: short stacking energy: -488.886 Base-Backbone interact. energy: -3.653 local terms energy: -492.976353 where: bonds (distance) C4'-P energy: -114.087 bonds (distance) P-C4' energy: -104.292 flat angles C4'-P-C4' energy: -121.344 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -99.240 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: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1382.804381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.804381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.804381 (E_RNA) where: Base-Base interactions energy: -892.177 where: short stacking energy: -388.408 Base-Backbone interact. energy: -2.641 local terms energy: -487.986739 where: bonds (distance) C4'-P energy: -118.622 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -113.897 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: -92.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -982.864307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.864307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.864307 (E_RNA) where: Base-Base interactions energy: -579.537 where: short stacking energy: -298.564 Base-Backbone interact. energy: -1.139 local terms energy: -402.188655 where: bonds (distance) C4'-P energy: -99.376 bonds (distance) P-C4' energy: -102.297 flat angles C4'-P-C4' energy: -108.791 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -38.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2519.104193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.104193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.104193 (E_RNA) where: Base-Base interactions energy: -1807.071 where: short stacking energy: -757.719 Base-Backbone interact. energy: 5.335 local terms energy: -717.368787 where: bonds (distance) C4'-P energy: -132.929 bonds (distance) P-C4' energy: -138.848 flat angles C4'-P-C4' energy: -151.511 flat angles P-C4'-P energy: -96.351 tors. eta vs tors. theta energy: -197.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2451.637208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.637208 (E_RNA) where: Base-Base interactions energy: -1699.766 where: short stacking energy: -750.165 Base-Backbone interact. energy: -0.573 local terms energy: -751.298759 where: bonds (distance) C4'-P energy: -143.809 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -162.593 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -211.717 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: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2356.528067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.528067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.528067 (E_RNA) where: Base-Base interactions energy: -1666.932 where: short stacking energy: -712.678 Base-Backbone interact. energy: -2.749 local terms energy: -686.847126 where: bonds (distance) C4'-P energy: -112.839 bonds (distance) P-C4' energy: -129.671 flat angles C4'-P-C4' energy: -155.493 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -196.829 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: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2195.164201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.164201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.164201 (E_RNA) where: Base-Base interactions energy: -1530.152 where: short stacking energy: -673.735 Base-Backbone interact. energy: -0.133 local terms energy: -664.879315 where: bonds (distance) C4'-P energy: -110.927 bonds (distance) P-C4' energy: -128.237 flat angles C4'-P-C4' energy: -147.764 flat angles P-C4'-P energy: -96.763 tors. eta vs tors. theta energy: -181.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2112.099164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.099164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.099164 (E_RNA) where: Base-Base interactions energy: -1495.062 where: short stacking energy: -656.560 Base-Backbone interact. energy: -0.634 local terms energy: -616.403764 where: bonds (distance) C4'-P energy: -107.182 bonds (distance) P-C4' energy: -112.792 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -89.394 tors. eta vs tors. theta energy: -164.571 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: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1961.569850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.569850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.569850 (E_RNA) where: Base-Base interactions energy: -1347.425 where: short stacking energy: -589.573 Base-Backbone interact. energy: 1.997 local terms energy: -616.142367 where: bonds (distance) C4'-P energy: -122.651 bonds (distance) P-C4' energy: -131.913 flat angles C4'-P-C4' energy: -138.239 flat angles P-C4'-P energy: -87.555 tors. eta vs tors. theta energy: -135.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1837.949689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.949689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.949689 (E_RNA) where: Base-Base interactions energy: -1253.366 where: short stacking energy: -530.856 Base-Backbone interact. energy: 0.352 local terms energy: -584.936251 where: bonds (distance) C4'-P energy: -117.174 bonds (distance) P-C4' energy: -128.967 flat angles C4'-P-C4' energy: -127.933 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -139.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1647.797238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.797238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.797238 (E_RNA) where: Base-Base interactions energy: -1127.248 where: short stacking energy: -469.947 Base-Backbone interact. energy: -2.680 local terms energy: -517.869059 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: -99.644 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: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1423.273764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.273764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.273764 (E_RNA) where: Base-Base interactions energy: -931.411 where: short stacking energy: -396.838 Base-Backbone interact. energy: 0.993 local terms energy: -492.855341 where: bonds (distance) C4'-P energy: -90.480 bonds (distance) P-C4' energy: -133.352 flat angles C4'-P-C4' energy: -117.916 flat angles P-C4'-P energy: -77.253 tors. eta vs tors. theta energy: -73.854 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: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1001.312600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.312600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.312600 (E_RNA) where: Base-Base interactions energy: -613.279 where: short stacking energy: -316.933 Base-Backbone interact. energy: -0.811 local terms energy: -387.222409 where: bonds (distance) C4'-P energy: -113.511 bonds (distance) P-C4' energy: -101.525 flat angles C4'-P-C4' energy: -94.892 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -29.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2517.459549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.459549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.459549 (E_RNA) where: Base-Base interactions energy: -1795.928 where: short stacking energy: -739.669 Base-Backbone interact. energy: -1.558 local terms energy: -719.973108 where: bonds (distance) C4'-P energy: -119.478 bonds (distance) P-C4' energy: -144.760 flat angles C4'-P-C4' energy: -155.594 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -198.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2486.682832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.682832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.682832 (E_RNA) where: Base-Base interactions energy: -1721.241 where: short stacking energy: -766.335 Base-Backbone interact. energy: -1.429 local terms energy: -764.013190 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -147.746 flat angles C4'-P-C4' energy: -154.241 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -228.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2345.582533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.582533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.582533 (E_RNA) where: Base-Base interactions energy: -1647.839 where: short stacking energy: -705.721 Base-Backbone interact. energy: -0.795 local terms energy: -696.948818 where: bonds (distance) C4'-P energy: -110.505 bonds (distance) P-C4' energy: -129.110 flat angles C4'-P-C4' energy: -153.141 flat angles P-C4'-P energy: -102.042 tors. eta vs tors. theta energy: -202.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2260.561200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.561200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.561200 (E_RNA) where: Base-Base interactions energy: -1572.591 where: short stacking energy: -678.239 Base-Backbone interact. energy: -4.267 local terms energy: -683.703287 where: bonds (distance) C4'-P energy: -132.380 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -150.867 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -185.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2135.703221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.703221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.703221 (E_RNA) where: Base-Base interactions energy: -1485.289 where: short stacking energy: -648.869 Base-Backbone interact. energy: -0.235 local terms energy: -650.179359 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -96.964 tors. eta vs tors. theta energy: -168.697 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1960.912288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.912288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.912288 (E_RNA) where: Base-Base interactions energy: -1342.327 where: short stacking energy: -583.781 Base-Backbone interact. energy: -1.319 local terms energy: -617.265880 where: bonds (distance) C4'-P energy: -114.428 bonds (distance) P-C4' energy: -134.624 flat angles C4'-P-C4' energy: -135.469 flat angles P-C4'-P energy: -95.702 tors. eta vs tors. theta energy: -137.042 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: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1861.132233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.132233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.132233 (E_RNA) where: Base-Base interactions energy: -1273.496 where: short stacking energy: -563.630 Base-Backbone interact. energy: -1.215 local terms energy: -586.421216 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -124.063 flat angles C4'-P-C4' energy: -129.949 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -133.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1602.389193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.389193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.389193 (E_RNA) where: Base-Base interactions energy: -1103.775 where: short stacking energy: -448.662 Base-Backbone interact. energy: -0.547 local terms energy: -498.067523 where: bonds (distance) C4'-P energy: -109.054 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -114.305 flat angles P-C4'-P energy: -69.430 tors. eta vs tors. theta energy: -77.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1400.249674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.249674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.249674 (E_RNA) where: Base-Base interactions energy: -922.960 where: short stacking energy: -427.205 Base-Backbone interact. energy: -0.766 local terms energy: -476.524431 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -107.436 flat angles C4'-P-C4' energy: -133.762 flat angles P-C4'-P energy: -62.614 tors. eta vs tors. theta energy: -75.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1027.091181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.091181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.091181 (E_RNA) where: Base-Base interactions energy: -626.603 where: short stacking energy: -292.591 Base-Backbone interact. energy: -0.391 local terms energy: -400.097764 where: bonds (distance) C4'-P energy: -94.678 bonds (distance) P-C4' energy: -110.272 flat angles C4'-P-C4' energy: -100.624 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -23.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2530.141343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.141343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.141343 (E_RNA) where: Base-Base interactions energy: -1804.397 where: short stacking energy: -732.662 Base-Backbone interact. energy: 0.384 local terms energy: -726.128323 where: bonds (distance) C4'-P energy: -130.436 bonds (distance) P-C4' energy: -132.171 flat angles C4'-P-C4' energy: -160.128 flat angles P-C4'-P energy: -104.123 tors. eta vs tors. theta energy: -199.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2487.487705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.487705 (E_RNA) where: Base-Base interactions energy: -1746.326 where: short stacking energy: -763.964 Base-Backbone interact. energy: -2.751 local terms energy: -738.411035 where: bonds (distance) C4'-P energy: -121.611 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -164.300 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -216.143 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: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2370.549087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.549087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.549087 (E_RNA) where: Base-Base interactions energy: -1640.850 where: short stacking energy: -703.334 Base-Backbone interact. energy: -2.980 local terms energy: -726.718542 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -148.127 flat angles P-C4'-P energy: -107.104 tors. eta vs tors. theta energy: -199.407 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: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2186.153394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.153394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.153394 (E_RNA) where: Base-Base interactions energy: -1517.203 where: short stacking energy: -669.740 Base-Backbone interact. energy: -2.672 local terms energy: -666.278523 where: bonds (distance) C4'-P energy: -114.644 bonds (distance) P-C4' energy: -126.191 flat angles C4'-P-C4' energy: -137.999 flat angles P-C4'-P energy: -106.794 tors. eta vs tors. theta energy: -180.650 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: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2143.769885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.769885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.769885 (E_RNA) where: Base-Base interactions energy: -1495.741 where: short stacking energy: -649.861 Base-Backbone interact. energy: -2.954 local terms energy: -645.075144 where: bonds (distance) C4'-P energy: -127.294 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -159.604 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: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1903.179813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.179813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.179813 (E_RNA) where: Base-Base interactions energy: -1342.504 where: short stacking energy: -573.822 Base-Backbone interact. energy: -2.412 local terms energy: -558.264086 where: bonds (distance) C4'-P energy: -99.465 bonds (distance) P-C4' energy: -113.419 flat angles C4'-P-C4' energy: -128.943 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -128.180 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: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1900.004598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.004598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.004598 (E_RNA) where: Base-Base interactions energy: -1315.924 where: short stacking energy: -537.433 Base-Backbone interact. energy: -2.655 local terms energy: -581.426254 where: bonds (distance) C4'-P energy: -102.201 bonds (distance) P-C4' energy: -117.422 flat angles C4'-P-C4' energy: -132.924 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -135.095 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: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1693.670373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.670373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.670373 (E_RNA) where: Base-Base interactions energy: -1181.042 where: short stacking energy: -508.389 Base-Backbone interact. energy: -0.505 local terms energy: -512.123069 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -66.322 tors. eta vs tors. theta energy: -106.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1436.245876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.245876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.245876 (E_RNA) where: Base-Base interactions energy: -966.690 where: short stacking energy: -443.153 Base-Backbone interact. energy: 8.528 local terms energy: -478.083561 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -114.184 flat angles C4'-P-C4' energy: -108.323 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -77.828 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: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1018.784974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.784974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.784974 (E_RNA) where: Base-Base interactions energy: -614.180 where: short stacking energy: -307.120 Base-Backbone interact. energy: 6.149 local terms energy: -410.754127 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -111.286 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -57.178 tors. eta vs tors. theta energy: -39.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2511.850302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.850302 (E_RNA) where: Base-Base interactions energy: -1794.596 where: short stacking energy: -760.237 Base-Backbone interact. energy: 0.022 local terms energy: -717.277090 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -133.269 flat angles C4'-P-C4' energy: -149.698 flat angles P-C4'-P energy: -97.216 tors. eta vs tors. theta energy: -208.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2458.668865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.668865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.668865 (E_RNA) where: Base-Base interactions energy: -1736.298 where: short stacking energy: -744.990 Base-Backbone interact. energy: -1.852 local terms energy: -720.518895 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -130.642 flat angles C4'-P-C4' energy: -147.876 flat angles P-C4'-P energy: -104.179 tors. eta vs tors. theta energy: -208.067 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: 345 Temperature: 1.000000 Total energy: -2366.754790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.754790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.754790 (E_RNA) where: Base-Base interactions energy: -1675.964 where: short stacking energy: -695.926 Base-Backbone interact. energy: -3.784 local terms energy: -687.007407 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -142.540 flat angles C4'-P-C4' energy: -154.435 flat angles P-C4'-P energy: -78.349 tors. eta vs tors. theta energy: -195.712 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: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2207.242501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.242501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.242501 (E_RNA) where: Base-Base interactions energy: -1552.185 where: short stacking energy: -656.307 Base-Backbone interact. energy: -4.385 local terms energy: -650.672155 where: bonds (distance) C4'-P energy: -125.526 bonds (distance) P-C4' energy: -127.056 flat angles C4'-P-C4' energy: -128.454 flat angles P-C4'-P energy: -92.717 tors. eta vs tors. theta energy: -176.919 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: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2142.405961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.405961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.405961 (E_RNA) where: Base-Base interactions energy: -1516.630 where: short stacking energy: -649.844 Base-Backbone interact. energy: -3.477 local terms energy: -622.298750 where: bonds (distance) C4'-P energy: -112.430 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -145.297 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -161.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1949.337947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.337947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.337947 (E_RNA) where: Base-Base interactions energy: -1361.533 where: short stacking energy: -603.372 Base-Backbone interact. energy: -0.133 local terms energy: -587.672085 where: bonds (distance) C4'-P energy: -100.923 bonds (distance) P-C4' energy: -122.591 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -140.696 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: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1880.073106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.073106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.073106 (E_RNA) where: Base-Base interactions energy: -1277.752 where: short stacking energy: -553.035 Base-Backbone interact. energy: -0.262 local terms energy: -602.058148 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -134.688 flat angles C4'-P-C4' energy: -130.430 flat angles P-C4'-P energy: -96.405 tors. eta vs tors. theta energy: -121.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1726.238379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.238379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.238379 (E_RNA) where: Base-Base interactions energy: -1167.175 where: short stacking energy: -477.667 Base-Backbone interact. energy: 0.452 local terms energy: -559.515003 where: bonds (distance) C4'-P energy: -121.745 bonds (distance) P-C4' energy: -125.813 flat angles C4'-P-C4' energy: -125.496 flat angles P-C4'-P energy: -77.926 tors. eta vs tors. theta energy: -108.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1413.870519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.870519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.870519 (E_RNA) where: Base-Base interactions energy: -951.007 where: short stacking energy: -447.168 Base-Backbone interact. energy: 1.488 local terms energy: -464.351290 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -122.406 flat angles C4'-P-C4' energy: -98.606 flat angles P-C4'-P energy: -60.675 tors. eta vs tors. theta energy: -85.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1043.513187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.513187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.513187 (E_RNA) where: Base-Base interactions energy: -644.248 where: short stacking energy: -328.571 Base-Backbone interact. energy: 1.030 local terms energy: -400.295492 where: bonds (distance) C4'-P energy: -92.403 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -34.081 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: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2479.132056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.132056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.132056 (E_RNA) where: Base-Base interactions energy: -1758.933 where: short stacking energy: -725.742 Base-Backbone interact. energy: -6.748 local terms energy: -713.451842 where: bonds (distance) C4'-P energy: -131.941 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -149.765 flat angles P-C4'-P energy: -99.502 tors. eta vs tors. theta energy: -194.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2453.988068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.988068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.988068 (E_RNA) where: Base-Base interactions energy: -1712.124 where: short stacking energy: -732.221 Base-Backbone interact. energy: -2.771 local terms energy: -739.093082 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -142.075 flat angles C4'-P-C4' energy: -151.715 flat angles P-C4'-P energy: -104.752 tors. eta vs tors. theta energy: -208.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2376.998492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.998492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.998492 (E_RNA) where: Base-Base interactions energy: -1671.968 where: short stacking energy: -726.140 Base-Backbone interact. energy: -2.127 local terms energy: -702.903069 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -133.607 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -85.086 tors. eta vs tors. theta energy: -210.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2220.445730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.445730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.445730 (E_RNA) where: Base-Base interactions energy: -1555.872 where: short stacking energy: -688.664 Base-Backbone interact. energy: 2.263 local terms energy: -666.836484 where: bonds (distance) C4'-P energy: -116.073 bonds (distance) P-C4' energy: -123.700 flat angles C4'-P-C4' energy: -142.119 flat angles P-C4'-P energy: -94.307 tors. eta vs tors. theta energy: -190.637 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: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2060.010942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.010942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.010942 (E_RNA) where: Base-Base interactions energy: -1458.993 where: short stacking energy: -637.712 Base-Backbone interact. energy: -2.540 local terms energy: -598.477853 where: bonds (distance) C4'-P energy: -122.797 bonds (distance) P-C4' energy: -117.177 flat angles C4'-P-C4' energy: -128.788 flat angles P-C4'-P energy: -67.872 tors. eta vs tors. theta energy: -161.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1886.831783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.831783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.831783 (E_RNA) where: Base-Base interactions energy: -1285.304 where: short stacking energy: -566.149 Base-Backbone interact. energy: -0.393 local terms energy: -601.134318 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -114.188 flat angles C4'-P-C4' energy: -133.792 flat angles P-C4'-P energy: -77.540 tors. eta vs tors. theta energy: -148.861 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1891.481274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.481274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.481274 (E_RNA) where: Base-Base interactions energy: -1298.542 where: short stacking energy: -547.698 Base-Backbone interact. energy: -0.046 local terms energy: -592.892518 where: bonds (distance) C4'-P energy: -115.533 bonds (distance) P-C4' energy: -122.199 flat angles C4'-P-C4' energy: -141.742 flat angles P-C4'-P energy: -82.011 tors. eta vs tors. theta energy: -131.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1749.339353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.339353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.339353 (E_RNA) where: Base-Base interactions energy: -1203.721 where: short stacking energy: -541.163 Base-Backbone interact. energy: -0.626 local terms energy: -544.992813 where: bonds (distance) C4'-P energy: -108.806 bonds (distance) P-C4' energy: -123.576 flat angles C4'-P-C4' energy: -133.363 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -110.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1502.064439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.064439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.064439 (E_RNA) where: Base-Base interactions energy: -987.230 where: short stacking energy: -445.817 Base-Backbone interact. energy: 1.089 local terms energy: -515.923727 where: bonds (distance) C4'-P energy: -102.972 bonds (distance) P-C4' energy: -104.427 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -112.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1086.032260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.032260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.032260 (E_RNA) where: Base-Base interactions energy: -661.929 where: short stacking energy: -312.679 Base-Backbone interact. energy: -0.100 local terms energy: -424.002993 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -106.284 flat angles P-C4'-P energy: -61.150 tors. eta vs tors. theta energy: -34.572 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: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2485.533229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.533229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.533229 (E_RNA) where: Base-Base interactions energy: -1748.850 where: short stacking energy: -739.793 Base-Backbone interact. energy: -2.717 local terms energy: -733.966133 where: bonds (distance) C4'-P energy: -123.379 bonds (distance) P-C4' energy: -143.857 flat angles C4'-P-C4' energy: -154.224 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -201.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2462.610932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.610932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.610932 (E_RNA) where: Base-Base interactions energy: -1720.862 where: short stacking energy: -774.178 Base-Backbone interact. energy: 2.165 local terms energy: -743.914559 where: bonds (distance) C4'-P energy: -132.801 bonds (distance) P-C4' energy: -124.193 flat angles C4'-P-C4' energy: -167.054 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -221.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2385.256542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.256542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.256542 (E_RNA) where: Base-Base interactions energy: -1668.870 where: short stacking energy: -735.560 Base-Backbone interact. energy: -0.910 local terms energy: -715.476439 where: bonds (distance) C4'-P energy: -115.893 bonds (distance) P-C4' energy: -141.094 flat angles C4'-P-C4' energy: -155.751 flat angles P-C4'-P energy: -89.194 tors. eta vs tors. theta energy: -213.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2149.529771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.529771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.529771 (E_RNA) where: Base-Base interactions energy: -1488.284 where: short stacking energy: -637.692 Base-Backbone interact. energy: -2.236 local terms energy: -659.009242 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -120.770 flat angles C4'-P-C4' energy: -138.471 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -177.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2146.151441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.151441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.151441 (E_RNA) where: Base-Base interactions energy: -1516.372 where: short stacking energy: -622.572 Base-Backbone interact. energy: 0.176 local terms energy: -629.955435 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -127.809 flat angles C4'-P-C4' energy: -126.505 flat angles P-C4'-P energy: -96.629 tors. eta vs tors. theta energy: -162.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1958.332386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.332386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.332386 (E_RNA) where: Base-Base interactions energy: -1368.599 where: short stacking energy: -584.055 Base-Backbone interact. energy: -1.916 local terms energy: -587.817449 where: bonds (distance) C4'-P energy: -122.228 bonds (distance) P-C4' energy: -101.371 flat angles C4'-P-C4' energy: -131.610 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: -145.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1827.162943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.162943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.162943 (E_RNA) where: Base-Base interactions energy: -1239.327 where: short stacking energy: -548.722 Base-Backbone interact. energy: -2.017 local terms energy: -585.818735 where: bonds (distance) C4'-P energy: -107.723 bonds (distance) P-C4' energy: -132.413 flat angles C4'-P-C4' energy: -126.042 flat angles P-C4'-P energy: -95.601 tors. eta vs tors. theta energy: -124.039 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: 347 Temperature: 1.250000 Total energy: -1792.375986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.375986 (E_RNA) where: Base-Base interactions energy: -1246.865 where: short stacking energy: -533.043 Base-Backbone interact. energy: 1.194 local terms energy: -546.704588 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -117.082 flat angles C4'-P-C4' energy: -137.689 flat angles P-C4'-P energy: -80.845 tors. eta vs tors. theta energy: -117.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1488.342025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.342025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.342025 (E_RNA) where: Base-Base interactions energy: -1016.972 where: short stacking energy: -456.691 Base-Backbone interact. energy: 1.573 local terms energy: -472.943388 where: bonds (distance) C4'-P energy: -94.945 bonds (distance) P-C4' energy: -117.503 flat angles C4'-P-C4' energy: -121.929 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: -90.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1160.135530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.135530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.135530 (E_RNA) where: Base-Base interactions energy: -705.404 where: short stacking energy: -335.085 Base-Backbone interact. energy: -3.250 local terms energy: -451.481846 where: bonds (distance) C4'-P energy: -117.622 bonds (distance) P-C4' energy: -111.967 flat angles C4'-P-C4' energy: -111.372 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -41.909 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: 348 Temperature: 0.900000 Total energy: -2485.192856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.192856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.192856 (E_RNA) where: Base-Base interactions energy: -1747.724 where: short stacking energy: -739.498 Base-Backbone interact. energy: -3.644 local terms energy: -733.824833 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -121.785 flat angles C4'-P-C4' energy: -162.650 flat angles P-C4'-P energy: -111.893 tors. eta vs tors. theta energy: -200.455 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: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2435.205526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.205526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.205526 (E_RNA) where: Base-Base interactions energy: -1710.738 where: short stacking energy: -735.372 Base-Backbone interact. energy: -0.622 local terms energy: -723.845990 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -119.792 flat angles C4'-P-C4' energy: -158.385 flat angles P-C4'-P energy: -103.555 tors. eta vs tors. theta energy: -210.294 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: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2404.214559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.214559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.214559 (E_RNA) where: Base-Base interactions energy: -1671.671 where: short stacking energy: -702.293 Base-Backbone interact. energy: -3.021 local terms energy: -729.521995 where: bonds (distance) C4'-P energy: -137.915 bonds (distance) P-C4' energy: -135.310 flat angles C4'-P-C4' energy: -139.515 flat angles P-C4'-P energy: -110.569 tors. eta vs tors. theta energy: -206.213 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: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2170.284276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.284276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.284276 (E_RNA) where: Base-Base interactions energy: -1489.634 where: short stacking energy: -663.744 Base-Backbone interact. energy: -4.020 local terms energy: -676.630673 where: bonds (distance) C4'-P energy: -116.362 bonds (distance) P-C4' energy: -128.422 flat angles C4'-P-C4' energy: -144.558 flat angles P-C4'-P energy: -99.193 tors. eta vs tors. theta energy: -188.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2136.655169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.655169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.655169 (E_RNA) where: Base-Base interactions energy: -1495.309 where: short stacking energy: -625.315 Base-Backbone interact. energy: 0.874 local terms energy: -642.220222 where: bonds (distance) C4'-P energy: -124.483 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -136.138 flat angles P-C4'-P energy: -89.588 tors. eta vs tors. theta energy: -165.403 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: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1975.302373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.302373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.302373 (E_RNA) where: Base-Base interactions energy: -1346.268 where: short stacking energy: -587.503 Base-Backbone interact. energy: -1.335 local terms energy: -627.699550 where: bonds (distance) C4'-P energy: -131.743 bonds (distance) P-C4' energy: -115.928 flat angles C4'-P-C4' energy: -142.752 flat angles P-C4'-P energy: -83.641 tors. eta vs tors. theta energy: -153.636 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: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1817.961500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.961500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.961500 (E_RNA) where: Base-Base interactions energy: -1258.155 where: short stacking energy: -554.510 Base-Backbone interact. energy: -1.815 local terms energy: -557.991147 where: bonds (distance) C4'-P energy: -101.964 bonds (distance) P-C4' energy: -115.365 flat angles C4'-P-C4' energy: -121.090 flat angles P-C4'-P energy: -89.565 tors. eta vs tors. theta energy: -130.007 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1779.644920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.644920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.644920 (E_RNA) where: Base-Base interactions energy: -1241.964 where: short stacking energy: -514.602 Base-Backbone interact. energy: -0.460 local terms energy: -537.221338 where: bonds (distance) C4'-P energy: -109.926 bonds (distance) P-C4' energy: -112.169 flat angles C4'-P-C4' energy: -108.848 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -128.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1501.232691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.232691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.232691 (E_RNA) where: Base-Base interactions energy: -1014.446 where: short stacking energy: -439.881 Base-Backbone interact. energy: -2.626 local terms energy: -484.160256 where: bonds (distance) C4'-P energy: -110.031 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -63.884 tors. eta vs tors. theta energy: -86.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1067.234990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.234990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.234990 (E_RNA) where: Base-Base interactions energy: -679.181 where: short stacking energy: -318.174 Base-Backbone interact. energy: 1.269 local terms energy: -389.323384 where: bonds (distance) C4'-P energy: -106.081 bonds (distance) P-C4' energy: -106.679 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -27.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2491.125190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.125190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.125190 (E_RNA) where: Base-Base interactions energy: -1754.176 where: short stacking energy: -728.495 Base-Backbone interact. energy: -4.229 local terms energy: -732.719798 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -134.642 flat angles C4'-P-C4' energy: -153.230 flat angles P-C4'-P energy: -104.217 tors. eta vs tors. theta energy: -202.313 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: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2454.088152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.088152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.088152 (E_RNA) where: Base-Base interactions energy: -1725.890 where: short stacking energy: -765.392 Base-Backbone interact. energy: -3.333 local terms energy: -724.864879 where: bonds (distance) C4'-P energy: -121.817 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -151.029 flat angles P-C4'-P energy: -92.168 tors. eta vs tors. theta energy: -218.230 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: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2381.958380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.958380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.958380 (E_RNA) where: Base-Base interactions energy: -1669.804 where: short stacking energy: -703.824 Base-Backbone interact. energy: -2.482 local terms energy: -709.672097 where: bonds (distance) C4'-P energy: -137.713 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -152.700 flat angles P-C4'-P energy: -108.431 tors. eta vs tors. theta energy: -202.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2200.416093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.416093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.416093 (E_RNA) where: Base-Base interactions energy: -1515.377 where: short stacking energy: -641.771 Base-Backbone interact. energy: 0.975 local terms energy: -686.014003 where: bonds (distance) C4'-P energy: -138.456 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -134.104 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -175.511 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: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2109.657192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.657192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.657192 (E_RNA) where: Base-Base interactions energy: -1476.248 where: short stacking energy: -637.550 Base-Backbone interact. energy: 4.002 local terms energy: -637.411043 where: bonds (distance) C4'-P energy: -118.136 bonds (distance) P-C4' energy: -114.340 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -92.488 tors. eta vs tors. theta energy: -156.451 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: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1974.618226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.618226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.618226 (E_RNA) where: Base-Base interactions energy: -1399.809 where: short stacking energy: -610.977 Base-Backbone interact. energy: -1.816 local terms energy: -572.994133 where: bonds (distance) C4'-P energy: -89.109 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -127.883 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -137.911 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: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1811.408853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.408853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.408853 (E_RNA) where: Base-Base interactions energy: -1217.597 where: short stacking energy: -544.830 Base-Backbone interact. energy: -2.404 local terms energy: -591.407910 where: bonds (distance) C4'-P energy: -97.953 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -144.091 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -143.688 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: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1817.224980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.224980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.224980 (E_RNA) where: Base-Base interactions energy: -1267.357 where: short stacking energy: -568.514 Base-Backbone interact. energy: -0.646 local terms energy: -549.221977 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -110.284 flat angles C4'-P-C4' energy: -137.521 flat angles P-C4'-P energy: -72.232 tors. eta vs tors. theta energy: -122.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1448.603765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.603765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.603765 (E_RNA) where: Base-Base interactions energy: -978.578 where: short stacking energy: -416.863 Base-Backbone interact. energy: 2.304 local terms energy: -472.329689 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -111.023 flat angles C4'-P-C4' energy: -102.050 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -82.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1064.143326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.143326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.143326 (E_RNA) where: Base-Base interactions energy: -654.006 where: short stacking energy: -314.490 Base-Backbone interact. energy: -0.548 local terms energy: -409.589366 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -104.868 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -26.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2503.814784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.814784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.814784 (E_RNA) where: Base-Base interactions energy: -1739.832 where: short stacking energy: -745.595 Base-Backbone interact. energy: -2.657 local terms energy: -761.325128 where: bonds (distance) C4'-P energy: -133.285 bonds (distance) P-C4' energy: -139.711 flat angles C4'-P-C4' energy: -156.408 flat angles P-C4'-P energy: -106.230 tors. eta vs tors. theta energy: -225.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2453.831009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.831009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.831009 (E_RNA) where: Base-Base interactions energy: -1713.147 where: short stacking energy: -758.147 Base-Backbone interact. energy: 6.891 local terms energy: -747.574836 where: bonds (distance) C4'-P energy: -138.491 bonds (distance) P-C4' energy: -149.501 flat angles C4'-P-C4' energy: -148.224 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -209.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2372.566296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.566296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.566296 (E_RNA) where: Base-Base interactions energy: -1628.717 where: short stacking energy: -688.834 Base-Backbone interact. energy: -4.494 local terms energy: -739.354730 where: bonds (distance) C4'-P energy: -140.441 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -144.549 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -211.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2151.981457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.981457 (E_RNA) where: Base-Base interactions energy: -1479.686 where: short stacking energy: -650.380 Base-Backbone interact. energy: 2.501 local terms energy: -674.796374 where: bonds (distance) C4'-P energy: -127.730 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -149.362 flat angles P-C4'-P energy: -91.326 tors. eta vs tors. theta energy: -180.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2122.460015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.460015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.460015 (E_RNA) where: Base-Base interactions energy: -1496.080 where: short stacking energy: -645.847 Base-Backbone interact. energy: 0.207 local terms energy: -626.587133 where: bonds (distance) C4'-P energy: -123.019 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -127.254 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -165.782 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: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2025.759177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.759177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.759177 (E_RNA) where: Base-Base interactions energy: -1396.022 where: short stacking energy: -619.444 Base-Backbone interact. energy: -0.084 local terms energy: -629.653010 where: bonds (distance) C4'-P energy: -114.831 bonds (distance) P-C4' energy: -125.680 flat angles C4'-P-C4' energy: -134.232 flat angles P-C4'-P energy: -99.116 tors. eta vs tors. theta energy: -155.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1845.461169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.461169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.461169 (E_RNA) where: Base-Base interactions energy: -1231.203 where: short stacking energy: -560.746 Base-Backbone interact. energy: 1.030 local terms energy: -615.288729 where: bonds (distance) C4'-P energy: -120.577 bonds (distance) P-C4' energy: -136.836 flat angles C4'-P-C4' energy: -138.982 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -135.478 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1688.794001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.794001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.794001 (E_RNA) where: Base-Base interactions energy: -1157.174 where: short stacking energy: -502.399 Base-Backbone interact. energy: -3.559 local terms energy: -528.060342 where: bonds (distance) C4'-P energy: -111.236 bonds (distance) P-C4' energy: -84.802 flat angles C4'-P-C4' energy: -128.342 flat angles P-C4'-P energy: -85.410 tors. eta vs tors. theta energy: -118.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1533.129320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.129320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.129320 (E_RNA) where: Base-Base interactions energy: -1008.687 where: short stacking energy: -441.671 Base-Backbone interact. energy: 2.188 local terms energy: -526.630329 where: bonds (distance) C4'-P energy: -102.300 bonds (distance) P-C4' energy: -110.448 flat angles C4'-P-C4' energy: -127.032 flat angles P-C4'-P energy: -83.600 tors. eta vs tors. theta energy: -103.250 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1044.017513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.017513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.017513 (E_RNA) where: Base-Base interactions energy: -653.226 where: short stacking energy: -314.313 Base-Backbone interact. energy: 1.872 local terms energy: -392.663286 where: bonds (distance) C4'-P energy: -97.353 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -101.734 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -27.146 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: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2521.091559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.091559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.091559 (E_RNA) where: Base-Base interactions energy: -1778.423 where: short stacking energy: -779.745 Base-Backbone interact. energy: 0.702 local terms energy: -743.370825 where: bonds (distance) C4'-P energy: -131.280 bonds (distance) P-C4' energy: -132.015 flat angles C4'-P-C4' energy: -154.668 flat angles P-C4'-P energy: -113.035 tors. eta vs tors. theta energy: -212.373 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: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2435.643451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.643451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.643451 (E_RNA) where: Base-Base interactions energy: -1726.376 where: short stacking energy: -732.720 Base-Backbone interact. energy: -2.338 local terms energy: -706.928956 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -141.846 flat angles C4'-P-C4' energy: -152.552 flat angles P-C4'-P energy: -94.432 tors. eta vs tors. theta energy: -200.163 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: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2360.199710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.199710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.199710 (E_RNA) where: Base-Base interactions energy: -1631.609 where: short stacking energy: -707.703 Base-Backbone interact. energy: 1.215 local terms energy: -729.805749 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -131.912 flat angles C4'-P-C4' energy: -151.637 flat angles P-C4'-P energy: -105.535 tors. eta vs tors. theta energy: -212.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2208.207882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.207882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.207882 (E_RNA) where: Base-Base interactions energy: -1519.930 where: short stacking energy: -644.910 Base-Backbone interact. energy: -1.137 local terms energy: -687.141611 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -123.234 flat angles C4'-P-C4' energy: -159.782 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -171.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2119.793432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.793432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.793432 (E_RNA) where: Base-Base interactions energy: -1485.455 where: short stacking energy: -637.152 Base-Backbone interact. energy: -2.173 local terms energy: -632.165503 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -119.153 flat angles C4'-P-C4' energy: -132.917 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -171.453 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: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1979.388985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.388985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.388985 (E_RNA) where: Base-Base interactions energy: -1378.181 where: short stacking energy: -627.621 Base-Backbone interact. energy: -1.257 local terms energy: -599.951878 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -117.819 flat angles C4'-P-C4' energy: -132.654 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -157.996 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: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1838.340427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.340427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.340427 (E_RNA) where: Base-Base interactions energy: -1259.370 where: short stacking energy: -576.715 Base-Backbone interact. energy: -1.794 local terms energy: -577.176412 where: bonds (distance) C4'-P energy: -93.948 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -128.839 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -147.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1736.874693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.874693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.874693 (E_RNA) where: Base-Base interactions energy: -1178.175 where: short stacking energy: -499.969 Base-Backbone interact. energy: 0.987 local terms energy: -559.686506 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -121.513 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -73.872 tors. eta vs tors. theta energy: -122.808 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: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1503.326533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.326533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.326533 (E_RNA) where: Base-Base interactions energy: -1026.368 where: short stacking energy: -443.551 Base-Backbone interact. energy: -0.049 local terms energy: -476.909283 where: bonds (distance) C4'-P energy: -108.743 bonds (distance) P-C4' energy: -105.363 flat angles C4'-P-C4' energy: -130.664 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -78.166 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -998.582482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.582482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.582482 (E_RNA) where: Base-Base interactions energy: -613.070 where: short stacking energy: -283.506 Base-Backbone interact. energy: 4.125 local terms energy: -389.637669 where: bonds (distance) C4'-P energy: -95.792 bonds (distance) P-C4' energy: -116.765 flat angles C4'-P-C4' energy: -106.468 flat angles P-C4'-P energy: -56.320 tors. eta vs tors. theta energy: -14.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2540.521742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.521742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.521742 (E_RNA) where: Base-Base interactions energy: -1791.021 where: short stacking energy: -783.716 Base-Backbone interact. energy: -3.090 local terms energy: -746.410332 where: bonds (distance) C4'-P energy: -129.434 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -148.925 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -229.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2460.135733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.135733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.135733 (E_RNA) where: Base-Base interactions energy: -1727.036 where: short stacking energy: -735.688 Base-Backbone interact. energy: -3.210 local terms energy: -729.889774 where: bonds (distance) C4'-P energy: -129.868 bonds (distance) P-C4' energy: -143.461 flat angles C4'-P-C4' energy: -155.858 flat angles P-C4'-P energy: -99.860 tors. eta vs tors. theta energy: -200.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2361.062826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.062826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.062826 (E_RNA) where: Base-Base interactions energy: -1630.612 where: short stacking energy: -727.375 Base-Backbone interact. energy: 0.390 local terms energy: -730.840879 where: bonds (distance) C4'-P energy: -132.631 bonds (distance) P-C4' energy: -124.257 flat angles C4'-P-C4' energy: -158.008 flat angles P-C4'-P energy: -113.871 tors. eta vs tors. theta energy: -202.073 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: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2188.781576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.781576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.781576 (E_RNA) where: Base-Base interactions energy: -1531.147 where: short stacking energy: -666.057 Base-Backbone interact. energy: -1.203 local terms energy: -656.431478 where: bonds (distance) C4'-P energy: -126.038 bonds (distance) P-C4' energy: -112.629 flat angles C4'-P-C4' energy: -141.503 flat angles P-C4'-P energy: -88.392 tors. eta vs tors. theta energy: -187.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2137.023568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.023568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.023568 (E_RNA) where: Base-Base interactions energy: -1504.309 where: short stacking energy: -639.778 Base-Backbone interact. energy: 0.766 local terms energy: -633.480004 where: bonds (distance) C4'-P energy: -108.268 bonds (distance) P-C4' energy: -127.942 flat angles C4'-P-C4' energy: -142.735 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -156.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1978.922563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.922563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.922563 (E_RNA) where: Base-Base interactions energy: -1380.680 where: short stacking energy: -599.806 Base-Backbone interact. energy: -1.832 local terms energy: -596.410876 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -111.879 flat angles C4'-P-C4' energy: -114.970 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -154.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1845.705823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.705823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.705823 (E_RNA) where: Base-Base interactions energy: -1265.526 where: short stacking energy: -553.569 Base-Backbone interact. energy: -1.816 local terms energy: -578.363846 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -110.714 flat angles C4'-P-C4' energy: -131.842 flat angles P-C4'-P energy: -88.649 tors. eta vs tors. theta energy: -140.368 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: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1761.818654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.818654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.818654 (E_RNA) where: Base-Base interactions energy: -1224.860 where: short stacking energy: -542.632 Base-Backbone interact. energy: -1.233 local terms energy: -535.726000 where: bonds (distance) C4'-P energy: -108.270 bonds (distance) P-C4' energy: -108.209 flat angles C4'-P-C4' energy: -121.728 flat angles P-C4'-P energy: -80.422 tors. eta vs tors. theta energy: -117.097 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: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1497.561591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.561591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.561591 (E_RNA) where: Base-Base interactions energy: -1010.442 where: short stacking energy: -423.356 Base-Backbone interact. energy: -1.258 local terms energy: -485.861784 where: bonds (distance) C4'-P energy: -110.134 bonds (distance) P-C4' energy: -123.242 flat angles C4'-P-C4' energy: -115.711 flat angles P-C4'-P energy: -60.906 tors. eta vs tors. theta energy: -75.868 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: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1027.582480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.582480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.582480 (E_RNA) where: Base-Base interactions energy: -589.301 where: short stacking energy: -271.690 Base-Backbone interact. energy: 1.485 local terms energy: -439.766624 where: bonds (distance) C4'-P energy: -104.122 bonds (distance) P-C4' energy: -122.488 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -22.663 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: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2518.146685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.146685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.146685 (E_RNA) where: Base-Base interactions energy: -1751.277 where: short stacking energy: -762.878 Base-Backbone interact. energy: -2.896 local terms energy: -763.973720 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -169.641 flat angles P-C4'-P energy: -101.382 tors. eta vs tors. theta energy: -224.794 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: 2, replica: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2427.880566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.880566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.880566 (E_RNA) where: Base-Base interactions energy: -1690.458 where: short stacking energy: -736.012 Base-Backbone interact. energy: -1.851 local terms energy: -735.571469 where: bonds (distance) C4'-P energy: -133.684 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -115.696 tors. eta vs tors. theta energy: -196.052 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: 353 Temperature: 1.000000 Total energy: -2307.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.664648 (E_RNA) where: Base-Base interactions energy: -1593.907 where: short stacking energy: -703.761 Base-Backbone interact. energy: 5.062 local terms energy: -718.819829 where: bonds (distance) C4'-P energy: -112.463 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -151.440 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -209.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2228.827051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.827051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.827051 (E_RNA) where: Base-Base interactions energy: -1561.891 where: short stacking energy: -676.938 Base-Backbone interact. energy: -1.530 local terms energy: -665.406535 where: bonds (distance) C4'-P energy: -124.631 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -143.536 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -181.307 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: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2094.930786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.930786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.930786 (E_RNA) where: Base-Base interactions energy: -1451.161 where: short stacking energy: -624.199 Base-Backbone interact. energy: -2.223 local terms energy: -641.546893 where: bonds (distance) C4'-P energy: -131.600 bonds (distance) P-C4' energy: -112.838 flat angles C4'-P-C4' energy: -147.718 flat angles P-C4'-P energy: -80.789 tors. eta vs tors. theta energy: -168.603 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: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1998.818646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.818646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.818646 (E_RNA) where: Base-Base interactions energy: -1438.148 where: short stacking energy: -616.876 Base-Backbone interact. energy: -2.126 local terms energy: -558.544691 where: bonds (distance) C4'-P energy: -91.497 bonds (distance) P-C4' energy: -116.696 flat angles C4'-P-C4' energy: -130.655 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: -145.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1899.059645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.059645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.059645 (E_RNA) where: Base-Base interactions energy: -1317.104 where: short stacking energy: -612.632 Base-Backbone interact. energy: -0.079 local terms energy: -581.876380 where: bonds (distance) C4'-P energy: -115.170 bonds (distance) P-C4' energy: -106.111 flat angles C4'-P-C4' energy: -127.433 flat angles P-C4'-P energy: -85.483 tors. eta vs tors. theta energy: -147.680 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: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1779.797438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.797438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.797438 (E_RNA) where: Base-Base interactions energy: -1225.460 where: short stacking energy: -515.587 Base-Backbone interact. energy: -2.130 local terms energy: -552.207396 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -130.021 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -123.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1442.941489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.941489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.941489 (E_RNA) where: Base-Base interactions energy: -977.485 where: short stacking energy: -402.389 Base-Backbone interact. energy: 4.511 local terms energy: -469.967880 where: bonds (distance) C4'-P energy: -104.047 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -116.581 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -69.468 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: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1058.086251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.086251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.086251 (E_RNA) where: Base-Base interactions energy: -606.289 where: short stacking energy: -276.401 Base-Backbone interact. energy: 9.317 local terms energy: -461.114438 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -106.215 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -58.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2536.923701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.923701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.923701 (E_RNA) where: Base-Base interactions energy: -1778.004 where: short stacking energy: -788.635 Base-Backbone interact. energy: -2.328 local terms energy: -756.591781 where: bonds (distance) C4'-P energy: -132.405 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -164.248 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -227.171 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: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2431.059345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.059345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.059345 (E_RNA) where: Base-Base interactions energy: -1718.927 where: short stacking energy: -710.378 Base-Backbone interact. energy: 0.726 local terms energy: -712.857663 where: bonds (distance) C4'-P energy: -136.450 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -160.643 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -191.658 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: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2325.371522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.371522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.371522 (E_RNA) where: Base-Base interactions energy: -1590.131 where: short stacking energy: -714.208 Base-Backbone interact. energy: -1.942 local terms energy: -733.298733 where: bonds (distance) C4'-P energy: -129.477 bonds (distance) P-C4' energy: -130.881 flat angles C4'-P-C4' energy: -157.462 flat angles P-C4'-P energy: -108.543 tors. eta vs tors. theta energy: -206.936 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: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2284.196756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.196756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.196756 (E_RNA) where: Base-Base interactions energy: -1609.121 where: short stacking energy: -710.750 Base-Backbone interact. energy: -1.573 local terms energy: -673.502393 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -116.711 flat angles C4'-P-C4' energy: -145.034 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -187.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2086.941809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.941809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.941809 (E_RNA) where: Base-Base interactions energy: -1451.825 where: short stacking energy: -643.518 Base-Backbone interact. energy: -3.326 local terms energy: -631.791349 where: bonds (distance) C4'-P energy: -116.350 bonds (distance) P-C4' energy: -104.054 flat angles C4'-P-C4' energy: -138.343 flat angles P-C4'-P energy: -92.895 tors. eta vs tors. theta energy: -180.150 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: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1968.047914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.047914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.047914 (E_RNA) where: Base-Base interactions energy: -1382.766 where: short stacking energy: -569.694 Base-Backbone interact. energy: -1.325 local terms energy: -583.957555 where: bonds (distance) C4'-P energy: -110.572 bonds (distance) P-C4' energy: -130.291 flat angles C4'-P-C4' energy: -125.658 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -131.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1888.821664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.821664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.821664 (E_RNA) where: Base-Base interactions energy: -1310.234 where: short stacking energy: -571.151 Base-Backbone interact. energy: 1.205 local terms energy: -579.793098 where: bonds (distance) C4'-P energy: -114.123 bonds (distance) P-C4' energy: -114.626 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -142.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1815.926482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.926482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.926482 (E_RNA) where: Base-Base interactions energy: -1243.836 where: short stacking energy: -520.117 Base-Backbone interact. energy: -2.745 local terms energy: -569.344876 where: bonds (distance) C4'-P energy: -107.815 bonds (distance) P-C4' energy: -127.910 flat angles C4'-P-C4' energy: -120.051 flat angles P-C4'-P energy: -79.372 tors. eta vs tors. theta energy: -134.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1452.907898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.907898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.907898 (E_RNA) where: Base-Base interactions energy: -990.882 where: short stacking energy: -431.630 Base-Backbone interact. energy: -1.104 local terms energy: -460.922313 where: bonds (distance) C4'-P energy: -80.457 bonds (distance) P-C4' energy: -111.514 flat angles C4'-P-C4' energy: -104.199 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -87.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1075.694842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.694842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.694842 (E_RNA) where: Base-Base interactions energy: -650.024 where: short stacking energy: -310.845 Base-Backbone interact. energy: 0.596 local terms energy: -426.266655 where: bonds (distance) C4'-P energy: -125.408 bonds (distance) P-C4' energy: -109.248 flat angles C4'-P-C4' energy: -99.701 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -32.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2507.064355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.064355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.064355 (E_RNA) where: Base-Base interactions energy: -1781.976 where: short stacking energy: -780.299 Base-Backbone interact. energy: -5.304 local terms energy: -719.785102 where: bonds (distance) C4'-P energy: -114.188 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -155.504 flat angles P-C4'-P energy: -108.689 tors. eta vs tors. theta energy: -210.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2424.952660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.952660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.952660 (E_RNA) where: Base-Base interactions energy: -1740.310 where: short stacking energy: -705.855 Base-Backbone interact. energy: -1.252 local terms energy: -683.390777 where: bonds (distance) C4'-P energy: -118.571 bonds (distance) P-C4' energy: -122.065 flat angles C4'-P-C4' energy: -150.875 flat angles P-C4'-P energy: -101.460 tors. eta vs tors. theta energy: -190.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2373.075483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.075483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.075483 (E_RNA) where: Base-Base interactions energy: -1631.702 where: short stacking energy: -686.088 Base-Backbone interact. energy: -5.299 local terms energy: -736.074601 where: bonds (distance) C4'-P energy: -129.039 bonds (distance) P-C4' energy: -148.991 flat angles C4'-P-C4' energy: -151.514 flat angles P-C4'-P energy: -97.527 tors. eta vs tors. theta energy: -209.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2244.556119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.556119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.556119 (E_RNA) where: Base-Base interactions energy: -1592.372 where: short stacking energy: -710.820 Base-Backbone interact. energy: 2.920 local terms energy: -655.104195 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -157.611 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: -189.837 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: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2123.147851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.147851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.147851 (E_RNA) where: Base-Base interactions energy: -1504.475 where: short stacking energy: -636.324 Base-Backbone interact. energy: -1.286 local terms energy: -617.386702 where: bonds (distance) C4'-P energy: -115.723 bonds (distance) P-C4' energy: -124.273 flat angles C4'-P-C4' energy: -144.389 flat angles P-C4'-P energy: -77.719 tors. eta vs tors. theta energy: -155.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1983.139951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.139951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.139951 (E_RNA) where: Base-Base interactions energy: -1362.428 where: short stacking energy: -620.946 Base-Backbone interact. energy: -2.847 local terms energy: -617.865733 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -133.691 flat angles C4'-P-C4' energy: -127.752 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -151.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1896.980596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.980596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.980596 (E_RNA) where: Base-Base interactions energy: -1291.451 where: short stacking energy: -554.248 Base-Backbone interact. energy: -1.825 local terms energy: -603.704677 where: bonds (distance) C4'-P energy: -122.147 bonds (distance) P-C4' energy: -120.250 flat angles C4'-P-C4' energy: -127.990 flat angles P-C4'-P energy: -88.812 tors. eta vs tors. theta energy: -144.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1811.407862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.407862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.407862 (E_RNA) where: Base-Base interactions energy: -1247.156 where: short stacking energy: -547.268 Base-Backbone interact. energy: 1.373 local terms energy: -565.624945 where: bonds (distance) C4'-P energy: -95.366 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -136.960 flat angles P-C4'-P energy: -70.642 tors. eta vs tors. theta energy: -143.240 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: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1508.424413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.424413 (E_RNA) where: Base-Base interactions energy: -1026.541 where: short stacking energy: -450.128 Base-Backbone interact. energy: -1.722 local terms energy: -480.161856 where: bonds (distance) C4'-P energy: -101.146 bonds (distance) P-C4' energy: -114.665 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -85.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1025.971245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.971245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.971245 (E_RNA) where: Base-Base interactions energy: -616.900 where: short stacking energy: -321.410 Base-Backbone interact. energy: 2.840 local terms energy: -411.911485 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -111.700 flat angles C4'-P-C4' energy: -91.523 flat angles P-C4'-P energy: -66.180 tors. eta vs tors. theta energy: -50.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2524.835722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.835722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.835722 (E_RNA) where: Base-Base interactions energy: -1765.653 where: short stacking energy: -800.408 Base-Backbone interact. energy: -4.724 local terms energy: -754.458097 where: bonds (distance) C4'-P energy: -125.166 bonds (distance) P-C4' energy: -131.251 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -115.344 tors. eta vs tors. theta energy: -229.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2433.635336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.635336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.635336 (E_RNA) where: Base-Base interactions energy: -1727.433 where: short stacking energy: -714.181 Base-Backbone interact. energy: -4.036 local terms energy: -702.165732 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -138.479 flat angles C4'-P-C4' energy: -151.174 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -196.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2340.221784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.221784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.221784 (E_RNA) where: Base-Base interactions energy: -1642.088 where: short stacking energy: -688.911 Base-Backbone interact. energy: -3.510 local terms energy: -694.623700 where: bonds (distance) C4'-P energy: -127.994 bonds (distance) P-C4' energy: -123.776 flat angles C4'-P-C4' energy: -140.165 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -192.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2269.548251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.548251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.548251 (E_RNA) where: Base-Base interactions energy: -1589.091 where: short stacking energy: -649.223 Base-Backbone interact. energy: -3.864 local terms energy: -676.593745 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -124.128 flat angles C4'-P-C4' energy: -150.820 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -178.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2064.611647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.611647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.611647 (E_RNA) where: Base-Base interactions energy: -1432.999 where: short stacking energy: -610.848 Base-Backbone interact. energy: -2.549 local terms energy: -629.064151 where: bonds (distance) C4'-P energy: -116.899 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -133.517 flat angles P-C4'-P energy: -103.626 tors. eta vs tors. theta energy: -155.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2077.616782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.616782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.616782 (E_RNA) where: Base-Base interactions energy: -1405.664 where: short stacking energy: -627.553 Base-Backbone interact. energy: -4.213 local terms energy: -667.740217 where: bonds (distance) C4'-P energy: -134.157 bonds (distance) P-C4' energy: -115.411 flat angles C4'-P-C4' energy: -139.054 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -174.555 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: 356 Temperature: 1.200000 Total energy: -1923.519949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.519949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.519949 (E_RNA) where: Base-Base interactions energy: -1335.009 where: short stacking energy: -592.812 Base-Backbone interact. energy: -2.243 local terms energy: -586.267932 where: bonds (distance) C4'-P energy: -116.188 bonds (distance) P-C4' energy: -116.782 flat angles C4'-P-C4' energy: -138.721 flat angles P-C4'-P energy: -74.619 tors. eta vs tors. theta energy: -139.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1779.338955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.338955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.338955 (E_RNA) where: Base-Base interactions energy: -1244.720 where: short stacking energy: -507.156 Base-Backbone interact. energy: -2.604 local terms energy: -532.014894 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -126.133 flat angles P-C4'-P energy: -77.138 tors. eta vs tors. theta energy: -115.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1496.506358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.506358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.506358 (E_RNA) where: Base-Base interactions energy: -1016.800 where: short stacking energy: -447.018 Base-Backbone interact. energy: 0.263 local terms energy: -479.969104 where: bonds (distance) C4'-P energy: -96.962 bonds (distance) P-C4' energy: -111.721 flat angles C4'-P-C4' energy: -113.196 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -87.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -994.623269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.623269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.623269 (E_RNA) where: Base-Base interactions energy: -593.749 where: short stacking energy: -267.344 Base-Backbone interact. energy: 0.555 local terms energy: -401.428668 where: bonds (distance) C4'-P energy: -93.996 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -98.630 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -21.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2533.545225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.545225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.545225 (E_RNA) where: Base-Base interactions energy: -1751.136 where: short stacking energy: -787.464 Base-Backbone interact. energy: -3.296 local terms energy: -779.112833 where: bonds (distance) C4'-P energy: -143.728 bonds (distance) P-C4' energy: -148.281 flat angles C4'-P-C4' energy: -165.045 flat angles P-C4'-P energy: -104.549 tors. eta vs tors. theta energy: -217.511 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: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2433.053188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.053188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.053188 (E_RNA) where: Base-Base interactions energy: -1728.174 where: short stacking energy: -692.828 Base-Backbone interact. energy: -2.190 local terms energy: -702.690049 where: bonds (distance) C4'-P energy: -132.532 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -144.717 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -190.180 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: 357 Temperature: 1.000000 Total energy: -2320.750368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.750368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.750368 (E_RNA) where: Base-Base interactions energy: -1636.467 where: short stacking energy: -720.772 Base-Backbone interact. energy: -1.782 local terms energy: -682.500818 where: bonds (distance) C4'-P energy: -120.820 bonds (distance) P-C4' energy: -140.610 flat angles C4'-P-C4' energy: -135.618 flat angles P-C4'-P energy: -89.855 tors. eta vs tors. theta energy: -195.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2244.053599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.053599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.053599 (E_RNA) where: Base-Base interactions energy: -1596.904 where: short stacking energy: -698.574 Base-Backbone interact. energy: -0.647 local terms energy: -646.502921 where: bonds (distance) C4'-P energy: -110.307 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -148.612 flat angles P-C4'-P energy: -87.659 tors. eta vs tors. theta energy: -183.525 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: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2033.612521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.612521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.612521 (E_RNA) where: Base-Base interactions energy: -1400.305 where: short stacking energy: -623.488 Base-Backbone interact. energy: -2.969 local terms energy: -630.337935 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -116.357 flat angles C4'-P-C4' energy: -145.037 flat angles P-C4'-P energy: -90.513 tors. eta vs tors. theta energy: -160.277 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: 357 Temperature: 1.150000 Total energy: -2063.371870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.371870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.371870 (E_RNA) where: Base-Base interactions energy: -1428.448 where: short stacking energy: -592.844 Base-Backbone interact. energy: -2.070 local terms energy: -632.853814 where: bonds (distance) C4'-P energy: -119.537 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -132.668 flat angles P-C4'-P energy: -95.471 tors. eta vs tors. theta energy: -155.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1776.798960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.798960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.798960 (E_RNA) where: Base-Base interactions energy: -1170.564 where: short stacking energy: -530.123 Base-Backbone interact. energy: 2.896 local terms energy: -609.131122 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -127.614 flat angles C4'-P-C4' energy: -140.414 flat angles P-C4'-P energy: -82.292 tors. eta vs tors. theta energy: -131.389 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: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1791.033241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.033241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.033241 (E_RNA) where: Base-Base interactions energy: -1234.076 where: short stacking energy: -546.253 Base-Backbone interact. energy: 1.864 local terms energy: -558.821130 where: bonds (distance) C4'-P energy: -104.188 bonds (distance) P-C4' energy: -102.502 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -88.320 tors. eta vs tors. theta energy: -131.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1458.298213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.298213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.298213 (E_RNA) where: Base-Base interactions energy: -987.292 where: short stacking energy: -427.891 Base-Backbone interact. energy: 7.110 local terms energy: -478.116242 where: bonds (distance) C4'-P energy: -96.308 bonds (distance) P-C4' energy: -119.914 flat angles C4'-P-C4' energy: -109.695 flat angles P-C4'-P energy: -73.269 tors. eta vs tors. theta energy: -78.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -928.143218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.143218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.143218 (E_RNA) where: Base-Base interactions energy: -535.068 where: short stacking energy: -272.783 Base-Backbone interact. energy: -2.734 local terms energy: -390.341100 where: bonds (distance) C4'-P energy: -121.363 bonds (distance) P-C4' energy: -109.245 flat angles C4'-P-C4' energy: -97.037 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -15.001 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: 358 Temperature: 0.900000 Total energy: -2531.518029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.518029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.518029 (E_RNA) where: Base-Base interactions energy: -1794.281 where: short stacking energy: -770.595 Base-Backbone interact. energy: -1.796 local terms energy: -735.440322 where: bonds (distance) C4'-P energy: -122.349 bonds (distance) P-C4' energy: -140.102 flat angles C4'-P-C4' energy: -153.502 flat angles P-C4'-P energy: -102.037 tors. eta vs tors. theta energy: -217.450 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: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2444.826895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.826895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.826895 (E_RNA) where: Base-Base interactions energy: -1736.764 where: short stacking energy: -709.995 Base-Backbone interact. energy: -0.583 local terms energy: -707.480298 where: bonds (distance) C4'-P energy: -124.262 bonds (distance) P-C4' energy: -130.539 flat angles C4'-P-C4' energy: -150.787 flat angles P-C4'-P energy: -105.645 tors. eta vs tors. theta energy: -196.247 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: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2343.188594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.188594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.188594 (E_RNA) where: Base-Base interactions energy: -1676.298 where: short stacking energy: -702.111 Base-Backbone interact. energy: 5.333 local terms energy: -672.224273 where: bonds (distance) C4'-P energy: -138.281 bonds (distance) P-C4' energy: -119.189 flat angles C4'-P-C4' energy: -132.518 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -187.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2230.211712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.211712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.211712 (E_RNA) where: Base-Base interactions energy: -1560.821 where: short stacking energy: -644.632 Base-Backbone interact. energy: -2.420 local terms energy: -666.971050 where: bonds (distance) C4'-P energy: -122.525 bonds (distance) P-C4' energy: -130.247 flat angles C4'-P-C4' energy: -153.408 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -169.334 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: 358 Temperature: 1.100000 Total energy: -2113.641500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.641500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.641500 (E_RNA) where: Base-Base interactions energy: -1475.564 where: short stacking energy: -655.997 Base-Backbone interact. energy: -4.024 local terms energy: -634.053355 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -125.229 flat angles C4'-P-C4' energy: -126.462 flat angles P-C4'-P energy: -95.017 tors. eta vs tors. theta energy: -177.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1988.580326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.580326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.580326 (E_RNA) where: Base-Base interactions energy: -1384.701 where: short stacking energy: -568.090 Base-Backbone interact. energy: -0.484 local terms energy: -603.395928 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -126.176 flat angles C4'-P-C4' energy: -130.057 flat angles P-C4'-P energy: -85.555 tors. eta vs tors. theta energy: -134.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1799.370395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.370395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.370395 (E_RNA) where: Base-Base interactions energy: -1254.152 where: short stacking energy: -547.344 Base-Backbone interact. energy: 2.516 local terms energy: -547.734385 where: bonds (distance) C4'-P energy: -92.195 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: -123.805 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: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1829.587440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.587440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.587440 (E_RNA) where: Base-Base interactions energy: -1268.113 where: short stacking energy: -537.379 Base-Backbone interact. energy: -0.443 local terms energy: -561.031408 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -130.813 flat angles C4'-P-C4' energy: -112.314 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -132.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1474.609165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.609165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.609165 (E_RNA) where: Base-Base interactions energy: -998.800 where: short stacking energy: -441.273 Base-Backbone interact. energy: 7.312 local terms energy: -483.122040 where: bonds (distance) C4'-P energy: -111.663 bonds (distance) P-C4' energy: -107.126 flat angles C4'-P-C4' energy: -128.017 flat angles P-C4'-P energy: -57.357 tors. eta vs tors. theta energy: -78.958 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: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -962.596285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.596285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.596285 (E_RNA) where: Base-Base interactions energy: -580.054 where: short stacking energy: -311.543 Base-Backbone interact. energy: -2.686 local terms energy: -379.856914 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -94.146 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -33.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2512.403050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.403050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.403050 (E_RNA) where: Base-Base interactions energy: -1745.912 where: short stacking energy: -737.765 Base-Backbone interact. energy: -2.638 local terms energy: -763.853443 where: bonds (distance) C4'-P energy: -141.294 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -215.298 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: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2451.576965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.576965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.576965 (E_RNA) where: Base-Base interactions energy: -1725.831 where: short stacking energy: -714.570 Base-Backbone interact. energy: -2.922 local terms energy: -722.823702 where: bonds (distance) C4'-P energy: -131.251 bonds (distance) P-C4' energy: -146.450 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -184.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2425.158830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.158830 (E_RNA) where: Base-Base interactions energy: -1701.350 where: short stacking energy: -730.418 Base-Backbone interact. energy: 1.084 local terms energy: -724.893486 where: bonds (distance) C4'-P energy: -121.113 bonds (distance) P-C4' energy: -145.494 flat angles C4'-P-C4' energy: -151.423 flat angles P-C4'-P energy: -104.842 tors. eta vs tors. theta energy: -202.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2261.571364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.571364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.571364 (E_RNA) where: Base-Base interactions energy: -1594.397 where: short stacking energy: -677.720 Base-Backbone interact. energy: -5.267 local terms energy: -661.907572 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -145.017 flat angles P-C4'-P energy: -93.630 tors. eta vs tors. theta energy: -177.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2082.414524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.414524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.414524 (E_RNA) where: Base-Base interactions energy: -1422.588 where: short stacking energy: -648.120 Base-Backbone interact. energy: -1.989 local terms energy: -657.837524 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -108.173 flat angles C4'-P-C4' energy: -139.365 flat angles P-C4'-P energy: -110.664 tors. eta vs tors. theta energy: -181.543 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: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2032.756738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.756738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.756738 (E_RNA) where: Base-Base interactions energy: -1434.468 where: short stacking energy: -615.742 Base-Backbone interact. energy: 7.883 local terms energy: -606.171359 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -113.565 flat angles C4'-P-C4' energy: -152.544 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -145.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1817.170534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.170534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.170534 (E_RNA) where: Base-Base interactions energy: -1221.735 where: short stacking energy: -545.292 Base-Backbone interact. energy: -0.079 local terms energy: -595.356823 where: bonds (distance) C4'-P energy: -124.054 bonds (distance) P-C4' energy: -118.250 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -81.416 tors. eta vs tors. theta energy: -141.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1819.296731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.296731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.296731 (E_RNA) where: Base-Base interactions energy: -1246.593 where: short stacking energy: -553.311 Base-Backbone interact. energy: -2.611 local terms energy: -570.092393 where: bonds (distance) C4'-P energy: -119.790 bonds (distance) P-C4' energy: -125.340 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -77.432 tors. eta vs tors. theta energy: -136.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1489.463628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.463628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.463628 (E_RNA) where: Base-Base interactions energy: -1037.720 where: short stacking energy: -436.063 Base-Backbone interact. energy: -1.748 local terms energy: -449.996031 where: bonds (distance) C4'-P energy: -85.451 bonds (distance) P-C4' energy: -116.179 flat angles C4'-P-C4' energy: -108.787 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: -68.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1003.200537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.200537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.200537 (E_RNA) where: Base-Base interactions energy: -606.128 where: short stacking energy: -322.512 Base-Backbone interact. energy: 2.135 local terms energy: -399.207139 where: bonds (distance) C4'-P energy: -93.062 bonds (distance) P-C4' energy: -115.139 flat angles C4'-P-C4' energy: -84.052 flat angles P-C4'-P energy: -71.957 tors. eta vs tors. theta energy: -34.997 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: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2539.975206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.975206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.975206 (E_RNA) where: Base-Base interactions energy: -1796.459 where: short stacking energy: -773.691 Base-Backbone interact. energy: -0.252 local terms energy: -743.263471 where: bonds (distance) C4'-P energy: -133.462 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -144.101 flat angles P-C4'-P energy: -104.910 tors. eta vs tors. theta energy: -218.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2431.172747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.172747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.172747 (E_RNA) where: Base-Base interactions energy: -1726.937 where: short stacking energy: -711.343 Base-Backbone interact. energy: -0.036 local terms energy: -704.199213 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -137.781 flat angles C4'-P-C4' energy: -148.584 flat angles P-C4'-P energy: -99.406 tors. eta vs tors. theta energy: -190.612 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: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2359.349832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.349832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.349832 (E_RNA) where: Base-Base interactions energy: -1639.803 where: short stacking energy: -709.998 Base-Backbone interact. energy: -3.034 local terms energy: -716.512947 where: bonds (distance) C4'-P energy: -123.277 bonds (distance) P-C4' energy: -124.261 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -104.584 tors. eta vs tors. theta energy: -209.372 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: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2226.074911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.074911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.074911 (E_RNA) where: Base-Base interactions energy: -1546.435 where: short stacking energy: -680.761 Base-Backbone interact. energy: -0.085 local terms energy: -679.554833 where: bonds (distance) C4'-P energy: -117.901 bonds (distance) P-C4' energy: -126.881 flat angles C4'-P-C4' energy: -147.766 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -183.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2182.723932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.723932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.723932 (E_RNA) where: Base-Base interactions energy: -1505.597 where: short stacking energy: -648.971 Base-Backbone interact. energy: -4.540 local terms energy: -672.586447 where: bonds (distance) C4'-P energy: -121.647 bonds (distance) P-C4' energy: -122.514 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -104.338 tors. eta vs tors. theta energy: -173.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2027.705181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.705181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.705181 (E_RNA) where: Base-Base interactions energy: -1372.843 where: short stacking energy: -616.344 Base-Backbone interact. energy: 1.745 local terms energy: -656.607341 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -128.835 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -170.605 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: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1879.557953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.557953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.557953 (E_RNA) where: Base-Base interactions energy: -1341.626 where: short stacking energy: -563.583 Base-Backbone interact. energy: 1.019 local terms energy: -538.951042 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -113.115 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -144.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1756.613488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.613488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.613488 (E_RNA) where: Base-Base interactions energy: -1191.972 where: short stacking energy: -512.341 Base-Backbone interact. energy: -3.709 local terms energy: -560.933248 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -125.884 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -119.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1496.815451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.815451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.815451 (E_RNA) where: Base-Base interactions energy: -1020.483 where: short stacking energy: -425.766 Base-Backbone interact. energy: 1.809 local terms energy: -478.141615 where: bonds (distance) C4'-P energy: -106.798 bonds (distance) P-C4' energy: -123.025 flat angles C4'-P-C4' energy: -110.891 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -78.704 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: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -958.188352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.188352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.188352 (E_RNA) where: Base-Base interactions energy: -580.115 where: short stacking energy: -301.546 Base-Backbone interact. energy: 2.928 local terms energy: -381.001318 where: bonds (distance) C4'-P energy: -108.825 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -34.346 tors. eta vs tors. theta energy: -26.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2519.652678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.652678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.652678 (E_RNA) where: Base-Base interactions energy: -1777.169 where: short stacking energy: -775.346 Base-Backbone interact. energy: -2.296 local terms energy: -740.187214 where: bonds (distance) C4'-P energy: -133.725 bonds (distance) P-C4' energy: -138.757 flat angles C4'-P-C4' energy: -152.811 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -224.283 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: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2444.509610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.509610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.509610 (E_RNA) where: Base-Base interactions energy: -1729.835 where: short stacking energy: -733.876 Base-Backbone interact. energy: 1.922 local terms energy: -716.596827 where: bonds (distance) C4'-P energy: -127.640 bonds (distance) P-C4' energy: -119.763 flat angles C4'-P-C4' energy: -163.275 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -206.101 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: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2367.026409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.026409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.026409 (E_RNA) where: Base-Base interactions energy: -1647.425 where: short stacking energy: -723.597 Base-Backbone interact. energy: -1.953 local terms energy: -717.648593 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -138.313 flat angles C4'-P-C4' energy: -141.136 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -211.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2285.092489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.092489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.092489 (E_RNA) where: Base-Base interactions energy: -1618.485 where: short stacking energy: -714.842 Base-Backbone interact. energy: -2.152 local terms energy: -664.455633 where: bonds (distance) C4'-P energy: -116.946 bonds (distance) P-C4' energy: -122.879 flat angles C4'-P-C4' energy: -141.948 flat angles P-C4'-P energy: -87.512 tors. eta vs tors. theta energy: -195.171 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: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2181.020521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.020521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.020521 (E_RNA) where: Base-Base interactions energy: -1518.174 where: short stacking energy: -665.310 Base-Backbone interact. energy: -2.906 local terms energy: -659.940229 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -140.096 flat angles C4'-P-C4' energy: -142.738 flat angles P-C4'-P energy: -81.715 tors. eta vs tors. theta energy: -170.811 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: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1968.096748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.096748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.096748 (E_RNA) where: Base-Base interactions energy: -1375.189 where: short stacking energy: -610.413 Base-Backbone interact. energy: -0.692 local terms energy: -592.215728 where: bonds (distance) C4'-P energy: -107.703 bonds (distance) P-C4' energy: -121.061 flat angles C4'-P-C4' energy: -122.872 flat angles P-C4'-P energy: -91.446 tors. eta vs tors. theta energy: -149.133 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: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1857.160415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.160415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.160415 (E_RNA) where: Base-Base interactions energy: -1303.726 where: short stacking energy: -565.236 Base-Backbone interact. energy: 0.458 local terms energy: -553.892452 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -120.279 flat angles C4'-P-C4' energy: -107.041 flat angles P-C4'-P energy: -66.542 tors. eta vs tors. theta energy: -140.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1731.524660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.524660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.524660 (E_RNA) where: Base-Base interactions energy: -1193.658 where: short stacking energy: -540.803 Base-Backbone interact. energy: 0.263 local terms energy: -538.129016 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -112.490 flat angles C4'-P-C4' energy: -137.026 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: -116.682 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: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1522.550297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.550297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.550297 (E_RNA) where: Base-Base interactions energy: -1068.021 where: short stacking energy: -439.820 Base-Backbone interact. energy: -2.623 local terms energy: -451.906456 where: bonds (distance) C4'-P energy: -104.637 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -108.452 flat angles P-C4'-P energy: -42.956 tors. eta vs tors. theta energy: -87.329 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: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1001.087266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.087266 (E_RNA) where: Base-Base interactions energy: -606.198 where: short stacking energy: -309.501 Base-Backbone interact. energy: 2.875 local terms energy: -397.763930 where: bonds (distance) C4'-P energy: -92.706 bonds (distance) P-C4' energy: -118.204 flat angles C4'-P-C4' energy: -107.753 flat angles P-C4'-P energy: -66.868 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: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2495.153944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.153944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.153944 (E_RNA) where: Base-Base interactions energy: -1758.558 where: short stacking energy: -751.315 Base-Backbone interact. energy: -0.021 local terms energy: -736.574955 where: bonds (distance) C4'-P energy: -131.726 bonds (distance) P-C4' energy: -127.500 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -110.164 tors. eta vs tors. theta energy: -221.178 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: 362 Temperature: 0.950000 Total energy: -2455.361582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.361582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.361582 (E_RNA) where: Base-Base interactions energy: -1753.063 where: short stacking energy: -728.574 Base-Backbone interact. energy: -4.919 local terms energy: -697.379693 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -140.544 flat angles C4'-P-C4' energy: -153.368 flat angles P-C4'-P energy: -90.870 tors. eta vs tors. theta energy: -187.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2356.020729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.020729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.020729 (E_RNA) where: Base-Base interactions energy: -1644.437 where: short stacking energy: -706.343 Base-Backbone interact. energy: -2.345 local terms energy: -709.238825 where: bonds (distance) C4'-P energy: -128.637 bonds (distance) P-C4' energy: -128.972 flat angles C4'-P-C4' energy: -152.697 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -196.598 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: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2237.392117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.392117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.392117 (E_RNA) where: Base-Base interactions energy: -1572.845 where: short stacking energy: -692.276 Base-Backbone interact. energy: -4.267 local terms energy: -660.280444 where: bonds (distance) C4'-P energy: -137.801 bonds (distance) P-C4' energy: -117.693 flat angles C4'-P-C4' energy: -142.506 flat angles P-C4'-P energy: -81.564 tors. eta vs tors. theta energy: -180.717 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: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2122.118076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.118076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.118076 (E_RNA) where: Base-Base interactions energy: -1502.417 where: short stacking energy: -632.750 Base-Backbone interact. energy: -3.367 local terms energy: -616.334416 where: bonds (distance) C4'-P energy: -103.939 bonds (distance) P-C4' energy: -118.086 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -156.349 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1939.423089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.423089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.423089 (E_RNA) where: Base-Base interactions energy: -1324.821 where: short stacking energy: -554.636 Base-Backbone interact. energy: -3.867 local terms energy: -610.735436 where: bonds (distance) C4'-P energy: -118.876 bonds (distance) P-C4' energy: -114.909 flat angles C4'-P-C4' energy: -141.094 flat angles P-C4'-P energy: -93.012 tors. eta vs tors. theta energy: -142.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1889.507791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.507791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.507791 (E_RNA) where: Base-Base interactions energy: -1321.517 where: short stacking energy: -540.500 Base-Backbone interact. energy: -2.891 local terms energy: -565.099415 where: bonds (distance) C4'-P energy: -108.512 bonds (distance) P-C4' energy: -121.230 flat angles C4'-P-C4' energy: -116.668 flat angles P-C4'-P energy: -83.332 tors. eta vs tors. theta energy: -135.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1720.735377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.735377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.735377 (E_RNA) where: Base-Base interactions energy: -1158.874 where: short stacking energy: -515.217 Base-Backbone interact. energy: -0.562 local terms energy: -561.298708 where: bonds (distance) C4'-P energy: -124.624 bonds (distance) P-C4' energy: -90.699 flat angles C4'-P-C4' energy: -128.266 flat angles P-C4'-P energy: -76.019 tors. eta vs tors. theta energy: -141.690 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: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1595.740820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.740820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.740820 (E_RNA) where: Base-Base interactions energy: -1110.749 where: short stacking energy: -475.149 Base-Backbone interact. energy: -1.008 local terms energy: -483.983391 where: bonds (distance) C4'-P energy: -107.460 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -80.609 tors. eta vs tors. theta energy: -100.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1053.521430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.521430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.521430 (E_RNA) where: Base-Base interactions energy: -656.368 where: short stacking energy: -289.794 Base-Backbone interact. energy: 5.416 local terms energy: -402.569564 where: bonds (distance) C4'-P energy: -91.964 bonds (distance) P-C4' energy: -112.674 flat angles C4'-P-C4' energy: -101.349 flat angles P-C4'-P energy: -59.985 tors. eta vs tors. theta energy: -36.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2525.350273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.350273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.350273 (E_RNA) where: Base-Base interactions energy: -1757.170 where: short stacking energy: -785.776 Base-Backbone interact. energy: -1.484 local terms energy: -766.696127 where: bonds (distance) C4'-P energy: -133.171 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -162.127 flat angles P-C4'-P energy: -110.275 tors. eta vs tors. theta energy: -218.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2434.752917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.752917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.752917 (E_RNA) where: Base-Base interactions energy: -1720.095 where: short stacking energy: -735.994 Base-Backbone interact. energy: -6.141 local terms energy: -708.516348 where: bonds (distance) C4'-P energy: -138.172 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -145.708 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -201.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2305.505641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.505641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.505641 (E_RNA) where: Base-Base interactions energy: -1631.680 where: short stacking energy: -711.364 Base-Backbone interact. energy: -3.661 local terms energy: -670.164322 where: bonds (distance) C4'-P energy: -111.529 bonds (distance) P-C4' energy: -130.789 flat angles C4'-P-C4' energy: -147.948 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -196.495 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: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2209.329184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.329184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.329184 (E_RNA) where: Base-Base interactions energy: -1557.041 where: short stacking energy: -665.161 Base-Backbone interact. energy: 3.965 local terms energy: -656.253416 where: bonds (distance) C4'-P energy: -131.609 bonds (distance) P-C4' energy: -118.501 flat angles C4'-P-C4' energy: -152.329 flat angles P-C4'-P energy: -79.796 tors. eta vs tors. theta energy: -174.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2153.817751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.817751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.817751 (E_RNA) where: Base-Base interactions energy: -1507.570 where: short stacking energy: -674.567 Base-Backbone interact. energy: -1.514 local terms energy: -644.734376 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -128.113 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -90.167 tors. eta vs tors. theta energy: -177.234 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: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1954.707605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.707605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.707605 (E_RNA) where: Base-Base interactions energy: -1340.490 where: short stacking energy: -569.783 Base-Backbone interact. energy: -2.434 local terms energy: -611.783402 where: bonds (distance) C4'-P energy: -120.698 bonds (distance) P-C4' energy: -111.114 flat angles C4'-P-C4' energy: -133.666 flat angles P-C4'-P energy: -104.453 tors. eta vs tors. theta energy: -141.852 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: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1898.754525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.754525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.754525 (E_RNA) where: Base-Base interactions energy: -1324.920 where: short stacking energy: -581.504 Base-Backbone interact. energy: 0.280 local terms energy: -574.114899 where: bonds (distance) C4'-P energy: -103.745 bonds (distance) P-C4' energy: -102.379 flat angles C4'-P-C4' energy: -143.494 flat angles P-C4'-P energy: -94.141 tors. eta vs tors. theta energy: -130.356 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: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1676.695205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.695205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.695205 (E_RNA) where: Base-Base interactions energy: -1163.917 where: short stacking energy: -495.318 Base-Backbone interact. energy: -1.396 local terms energy: -511.381956 where: bonds (distance) C4'-P energy: -111.036 bonds (distance) P-C4' energy: -122.054 flat angles C4'-P-C4' energy: -111.156 flat angles P-C4'-P energy: -65.541 tors. eta vs tors. theta energy: -101.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1609.166192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.166192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.166192 (E_RNA) where: Base-Base interactions energy: -1099.334 where: short stacking energy: -463.856 Base-Backbone interact. energy: -0.441 local terms energy: -509.390828 where: bonds (distance) C4'-P energy: -92.135 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -104.358 flat angles P-C4'-P energy: -74.187 tors. eta vs tors. theta energy: -111.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1062.690453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.690453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.690453 (E_RNA) where: Base-Base interactions energy: -653.595 where: short stacking energy: -303.384 Base-Backbone interact. energy: 1.772 local terms energy: -410.867029 where: bonds (distance) C4'-P energy: -106.302 bonds (distance) P-C4' energy: -116.617 flat angles C4'-P-C4' energy: -85.908 flat angles P-C4'-P energy: -73.200 tors. eta vs tors. theta energy: -28.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2499.673522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.673522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.673522 (E_RNA) where: Base-Base interactions energy: -1766.707 where: short stacking energy: -754.090 Base-Backbone interact. energy: 1.068 local terms energy: -734.034507 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -156.890 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -214.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2427.321505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.321505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.321505 (E_RNA) where: Base-Base interactions energy: -1718.413 where: short stacking energy: -710.366 Base-Backbone interact. energy: 4.204 local terms energy: -716.334768 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -146.904 flat angles C4'-P-C4' energy: -156.155 flat angles P-C4'-P energy: -102.432 tors. eta vs tors. theta energy: -184.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.222 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2300.539456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.539456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.539456 (E_RNA) where: Base-Base interactions energy: -1604.963 where: short stacking energy: -696.117 Base-Backbone interact. energy: -2.531 local terms energy: -693.045197 where: bonds (distance) C4'-P energy: -136.351 bonds (distance) P-C4' energy: -123.909 flat angles C4'-P-C4' energy: -145.146 flat angles P-C4'-P energy: -95.562 tors. eta vs tors. theta energy: -192.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2181.422320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.422320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.422320 (E_RNA) where: Base-Base interactions energy: -1537.877 where: short stacking energy: -658.901 Base-Backbone interact. energy: -2.367 local terms energy: -641.178234 where: bonds (distance) C4'-P energy: -122.355 bonds (distance) P-C4' energy: -120.517 flat angles C4'-P-C4' energy: -139.769 flat angles P-C4'-P energy: -93.337 tors. eta vs tors. theta energy: -165.199 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: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2131.570646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.570646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.570646 (E_RNA) where: Base-Base interactions energy: -1480.272 where: short stacking energy: -632.155 Base-Backbone interact. energy: -0.897 local terms energy: -650.401744 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -121.338 flat angles C4'-P-C4' energy: -140.883 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -167.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1974.993856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.993856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.993856 (E_RNA) where: Base-Base interactions energy: -1372.410 where: short stacking energy: -580.848 Base-Backbone interact. energy: -0.518 local terms energy: -602.065748 where: bonds (distance) C4'-P energy: -109.979 bonds (distance) P-C4' energy: -127.780 flat angles C4'-P-C4' energy: -126.089 flat angles P-C4'-P energy: -92.901 tors. eta vs tors. theta energy: -145.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1900.056700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.056700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.056700 (E_RNA) where: Base-Base interactions energy: -1338.812 where: short stacking energy: -553.708 Base-Backbone interact. energy: -0.925 local terms energy: -560.319661 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -120.417 flat angles C4'-P-C4' energy: -129.427 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -130.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1694.714041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.714041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.714041 (E_RNA) where: Base-Base interactions energy: -1155.387 where: short stacking energy: -491.838 Base-Backbone interact. energy: -1.724 local terms energy: -537.602952 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -110.003 flat angles C4'-P-C4' energy: -120.151 flat angles P-C4'-P energy: -85.701 tors. eta vs tors. theta energy: -105.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1625.438571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.438571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.438571 (E_RNA) where: Base-Base interactions energy: -1055.144 where: short stacking energy: -470.943 Base-Backbone interact. energy: -2.257 local terms energy: -568.037322 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -130.210 flat angles C4'-P-C4' energy: -144.070 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -112.779 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: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1077.734757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.734757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.734757 (E_RNA) where: Base-Base interactions energy: -688.593 where: short stacking energy: -322.351 Base-Backbone interact. energy: 3.232 local terms energy: -392.373466 where: bonds (distance) C4'-P energy: -104.453 bonds (distance) P-C4' energy: -89.069 flat angles C4'-P-C4' energy: -107.827 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -28.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2508.640409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.640409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.640409 (E_RNA) where: Base-Base interactions energy: -1744.638 where: short stacking energy: -776.067 Base-Backbone interact. energy: -5.130 local terms energy: -758.872737 where: bonds (distance) C4'-P energy: -126.933 bonds (distance) P-C4' energy: -155.732 flat angles C4'-P-C4' energy: -166.024 flat angles P-C4'-P energy: -91.874 tors. eta vs tors. theta energy: -218.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2432.026204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.026204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.026204 (E_RNA) where: Base-Base interactions energy: -1724.910 where: short stacking energy: -705.296 Base-Backbone interact. energy: -4.665 local terms energy: -702.673231 where: bonds (distance) C4'-P energy: -119.280 bonds (distance) P-C4' energy: -129.135 flat angles C4'-P-C4' energy: -155.646 flat angles P-C4'-P energy: -109.665 tors. eta vs tors. theta energy: -188.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2331.123657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.123657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.123657 (E_RNA) where: Base-Base interactions energy: -1626.645 where: short stacking energy: -745.010 Base-Backbone interact. energy: -3.015 local terms energy: -701.463415 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -146.935 flat angles P-C4'-P energy: -94.069 tors. eta vs tors. theta energy: -211.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2219.369420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.369420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.369420 (E_RNA) where: Base-Base interactions energy: -1572.885 where: short stacking energy: -686.405 Base-Backbone interact. energy: 1.327 local terms energy: -647.811704 where: bonds (distance) C4'-P energy: -120.107 bonds (distance) P-C4' energy: -134.364 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -161.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2135.258079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.258079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.258079 (E_RNA) where: Base-Base interactions energy: -1513.767 where: short stacking energy: -646.565 Base-Backbone interact. energy: -1.077 local terms energy: -620.413786 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -98.746 flat angles C4'-P-C4' energy: -143.260 flat angles P-C4'-P energy: -95.784 tors. eta vs tors. theta energy: -162.431 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: 365 Temperature: 1.150000 Total energy: -1927.790608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.790608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.790608 (E_RNA) where: Base-Base interactions energy: -1355.042 where: short stacking energy: -580.029 Base-Backbone interact. energy: -1.940 local terms energy: -570.808795 where: bonds (distance) C4'-P energy: -110.338 bonds (distance) P-C4' energy: -110.689 flat angles C4'-P-C4' energy: -125.604 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -139.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1889.596438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.596438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.596438 (E_RNA) where: Base-Base interactions energy: -1307.814 where: short stacking energy: -553.783 Base-Backbone interact. energy: 5.743 local terms energy: -587.525657 where: bonds (distance) C4'-P energy: -115.213 bonds (distance) P-C4' energy: -131.528 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: -124.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1670.146097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.146097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.146097 (E_RNA) where: Base-Base interactions energy: -1134.245 where: short stacking energy: -491.675 Base-Backbone interact. energy: 1.673 local terms energy: -537.574298 where: bonds (distance) C4'-P energy: -123.078 bonds (distance) P-C4' energy: -106.709 flat angles C4'-P-C4' energy: -132.637 flat angles P-C4'-P energy: -64.991 tors. eta vs tors. theta energy: -110.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1591.148912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.148912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.148912 (E_RNA) where: Base-Base interactions energy: -1084.237 where: short stacking energy: -471.734 Base-Backbone interact. energy: -3.250 local terms energy: -503.662730 where: bonds (distance) C4'-P energy: -83.926 bonds (distance) P-C4' energy: -98.598 flat angles C4'-P-C4' energy: -128.222 flat angles P-C4'-P energy: -86.187 tors. eta vs tors. theta energy: -106.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1084.725107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.725107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.725107 (E_RNA) where: Base-Base interactions energy: -665.497 where: short stacking energy: -315.949 Base-Backbone interact. energy: 2.594 local terms energy: -421.821804 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -117.464 flat angles C4'-P-C4' energy: -106.558 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -44.770 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: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2513.837549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.837549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.837549 (E_RNA) where: Base-Base interactions energy: -1770.839 where: short stacking energy: -764.557 Base-Backbone interact. energy: -1.110 local terms energy: -741.888745 where: bonds (distance) C4'-P energy: -134.960 bonds (distance) P-C4' energy: -136.275 flat angles C4'-P-C4' energy: -162.731 flat angles P-C4'-P energy: -99.079 tors. eta vs tors. theta energy: -208.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2400.469422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.469422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.469422 (E_RNA) where: Base-Base interactions energy: -1708.213 where: short stacking energy: -703.550 Base-Backbone interact. energy: 0.968 local terms energy: -693.224734 where: bonds (distance) C4'-P energy: -133.728 bonds (distance) P-C4' energy: -130.148 flat angles C4'-P-C4' energy: -140.614 flat angles P-C4'-P energy: -101.509 tors. eta vs tors. theta energy: -187.226 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: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2340.068896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.068896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.068896 (E_RNA) where: Base-Base interactions energy: -1638.724 where: short stacking energy: -737.113 Base-Backbone interact. energy: 0.031 local terms energy: -701.375812 where: bonds (distance) C4'-P energy: -129.947 bonds (distance) P-C4' energy: -118.598 flat angles C4'-P-C4' energy: -145.722 flat angles P-C4'-P energy: -93.904 tors. eta vs tors. theta energy: -213.204 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2182.758224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.758224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.758224 (E_RNA) where: Base-Base interactions energy: -1502.700 where: short stacking energy: -652.999 Base-Backbone interact. energy: 2.746 local terms energy: -682.803819 where: bonds (distance) C4'-P energy: -123.146 bonds (distance) P-C4' energy: -152.682 flat angles C4'-P-C4' energy: -138.942 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -161.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2196.246573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.246573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.246573 (E_RNA) where: Base-Base interactions energy: -1542.677 where: short stacking energy: -674.447 Base-Backbone interact. energy: -1.041 local terms energy: -652.528707 where: bonds (distance) C4'-P energy: -128.284 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -140.705 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -183.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1967.224957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.224957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.224957 (E_RNA) where: Base-Base interactions energy: -1361.633 where: short stacking energy: -587.116 Base-Backbone interact. energy: -0.491 local terms energy: -605.100220 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -111.379 flat angles C4'-P-C4' energy: -131.656 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -156.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1869.573707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.573707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.573707 (E_RNA) where: Base-Base interactions energy: -1297.122 where: short stacking energy: -558.389 Base-Backbone interact. energy: -1.706 local terms energy: -570.745863 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -115.351 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -79.818 tors. eta vs tors. theta energy: -136.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1672.971696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.971696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.971696 (E_RNA) where: Base-Base interactions energy: -1109.049 where: short stacking energy: -490.535 Base-Backbone interact. energy: -5.285 local terms energy: -558.638132 where: bonds (distance) C4'-P energy: -111.127 bonds (distance) P-C4' energy: -136.924 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -87.151 tors. eta vs tors. theta energy: -111.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1561.606422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.606422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.606422 (E_RNA) where: Base-Base interactions energy: -1047.999 where: short stacking energy: -459.185 Base-Backbone interact. energy: -1.575 local terms energy: -512.033016 where: bonds (distance) C4'-P energy: -113.805 bonds (distance) P-C4' energy: -121.081 flat angles C4'-P-C4' energy: -120.609 flat angles P-C4'-P energy: -64.894 tors. eta vs tors. theta energy: -91.645 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: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1014.560042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.560042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.560042 (E_RNA) where: Base-Base interactions energy: -625.539 where: short stacking energy: -288.427 Base-Backbone interact. energy: -2.363 local terms energy: -386.658115 where: bonds (distance) C4'-P energy: -107.785 bonds (distance) P-C4' energy: -115.839 flat angles C4'-P-C4' energy: -98.210 flat angles P-C4'-P energy: -54.240 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: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2550.823906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.823906 (E_RNA) where: Base-Base interactions energy: -1768.165 where: short stacking energy: -776.408 Base-Backbone interact. energy: -2.116 local terms energy: -780.542830 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -141.134 flat angles C4'-P-C4' energy: -168.985 flat angles P-C4'-P energy: -108.010 tors. eta vs tors. theta energy: -221.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2438.408238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.408238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.408238 (E_RNA) where: Base-Base interactions energy: -1740.039 where: short stacking energy: -704.444 Base-Backbone interact. energy: -2.035 local terms energy: -696.334629 where: bonds (distance) C4'-P energy: -122.917 bonds (distance) P-C4' energy: -134.878 flat angles C4'-P-C4' energy: -152.670 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -182.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2362.061862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.061862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.061862 (E_RNA) where: Base-Base interactions energy: -1641.830 where: short stacking energy: -708.004 Base-Backbone interact. energy: -6.267 local terms energy: -713.964825 where: bonds (distance) C4'-P energy: -131.128 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -201.734 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: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2228.786284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.786284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.786284 (E_RNA) where: Base-Base interactions energy: -1564.386 where: short stacking energy: -658.725 Base-Backbone interact. energy: -1.776 local terms energy: -662.624414 where: bonds (distance) C4'-P energy: -119.117 bonds (distance) P-C4' energy: -132.178 flat angles C4'-P-C4' energy: -148.564 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -163.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2107.864981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.864981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.864981 (E_RNA) where: Base-Base interactions energy: -1480.836 where: short stacking energy: -622.128 Base-Backbone interact. energy: 1.935 local terms energy: -628.963683 where: bonds (distance) C4'-P energy: -115.671 bonds (distance) P-C4' energy: -127.645 flat angles C4'-P-C4' energy: -130.878 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -153.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1970.670660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.670660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.670660 (E_RNA) where: Base-Base interactions energy: -1359.871 where: short stacking energy: -572.044 Base-Backbone interact. energy: -3.382 local terms energy: -607.417275 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -125.903 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -99.735 tors. eta vs tors. theta energy: -135.905 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1949.043858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.043858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.043858 (E_RNA) where: Base-Base interactions energy: -1353.968 where: short stacking energy: -591.088 Base-Backbone interact. energy: -2.324 local terms energy: -592.752132 where: bonds (distance) C4'-P energy: -123.176 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -69.518 tors. eta vs tors. theta energy: -140.092 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: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1720.009970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.009970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.009970 (E_RNA) where: Base-Base interactions energy: -1163.709 where: short stacking energy: -518.563 Base-Backbone interact. energy: 1.338 local terms energy: -557.638254 where: bonds (distance) C4'-P energy: -107.681 bonds (distance) P-C4' energy: -125.718 flat angles C4'-P-C4' energy: -127.843 flat angles P-C4'-P energy: -75.648 tors. eta vs tors. theta energy: -120.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1556.157877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.157877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.157877 (E_RNA) where: Base-Base interactions energy: -1075.301 where: short stacking energy: -472.515 Base-Backbone interact. energy: 2.490 local terms energy: -483.346732 where: bonds (distance) C4'-P energy: -97.677 bonds (distance) P-C4' energy: -116.481 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -64.903 tors. eta vs tors. theta energy: -93.336 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: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1008.430881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.430881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.430881 (E_RNA) where: Base-Base interactions energy: -629.274 where: short stacking energy: -302.797 Base-Backbone interact. energy: -4.130 local terms energy: -375.027168 where: bonds (distance) C4'-P energy: -106.245 bonds (distance) P-C4' energy: -88.067 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -20.066 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: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2533.605442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.605442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.605442 (E_RNA) where: Base-Base interactions energy: -1757.520 where: short stacking energy: -800.142 Base-Backbone interact. energy: -2.699 local terms energy: -773.386375 where: bonds (distance) C4'-P energy: -145.127 bonds (distance) P-C4' energy: -162.734 flat angles C4'-P-C4' energy: -147.635 flat angles P-C4'-P energy: -107.352 tors. eta vs tors. theta energy: -210.539 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: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2427.512526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.512526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.512526 (E_RNA) where: Base-Base interactions energy: -1758.387 where: short stacking energy: -717.195 Base-Backbone interact. energy: -2.162 local terms energy: -667.338291 where: bonds (distance) C4'-P energy: -109.653 bonds (distance) P-C4' energy: -129.295 flat angles C4'-P-C4' energy: -142.905 flat angles P-C4'-P energy: -94.628 tors. eta vs tors. theta energy: -190.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.375 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2344.507169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.507169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.507169 (E_RNA) where: Base-Base interactions energy: -1635.649 where: short stacking energy: -709.111 Base-Backbone interact. energy: -2.625 local terms energy: -706.234007 where: bonds (distance) C4'-P energy: -123.246 bonds (distance) P-C4' energy: -125.877 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -212.798 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: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2280.733424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.733424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.733424 (E_RNA) where: Base-Base interactions energy: -1611.995 where: short stacking energy: -706.257 Base-Backbone interact. energy: -2.350 local terms energy: -666.388944 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -109.898 flat angles C4'-P-C4' energy: -139.885 flat angles P-C4'-P energy: -103.511 tors. eta vs tors. theta energy: -184.672 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: 368 Temperature: 1.100000 Total energy: -2108.911837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.911837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.911837 (E_RNA) where: Base-Base interactions energy: -1461.804 where: short stacking energy: -610.173 Base-Backbone interact. energy: -3.379 local terms energy: -643.729549 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -142.645 flat angles P-C4'-P energy: -95.074 tors. eta vs tors. theta energy: -157.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1938.533858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.533858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.533858 (E_RNA) where: Base-Base interactions energy: -1329.258 where: short stacking energy: -577.582 Base-Backbone interact. energy: 0.896 local terms energy: -610.171334 where: bonds (distance) C4'-P energy: -115.891 bonds (distance) P-C4' energy: -128.076 flat angles C4'-P-C4' energy: -129.280 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: -143.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1894.788323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.788323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.788323 (E_RNA) where: Base-Base interactions energy: -1335.234 where: short stacking energy: -580.835 Base-Backbone interact. energy: 2.261 local terms energy: -561.814907 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -112.670 flat angles C4'-P-C4' energy: -120.232 flat angles P-C4'-P energy: -84.579 tors. eta vs tors. theta energy: -136.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1691.374479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.374479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.374479 (E_RNA) where: Base-Base interactions energy: -1155.857 where: short stacking energy: -504.473 Base-Backbone interact. energy: -4.587 local terms energy: -530.930468 where: bonds (distance) C4'-P energy: -97.024 bonds (distance) P-C4' energy: -98.935 flat angles C4'-P-C4' energy: -129.402 flat angles P-C4'-P energy: -84.574 tors. eta vs tors. theta energy: -120.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1566.069391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.069391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.069391 (E_RNA) where: Base-Base interactions energy: -1067.238 where: short stacking energy: -463.438 Base-Backbone interact. energy: -0.727 local terms energy: -498.104780 where: bonds (distance) C4'-P energy: -108.521 bonds (distance) P-C4' energy: -105.701 flat angles C4'-P-C4' energy: -118.112 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -95.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1135.776554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.776554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.776554 (E_RNA) where: Base-Base interactions energy: -724.332 where: short stacking energy: -333.508 Base-Backbone interact. energy: 3.646 local terms energy: -415.091372 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -119.758 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -32.403 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: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2541.624810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.624810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.624810 (E_RNA) where: Base-Base interactions energy: -1779.410 where: short stacking energy: -776.986 Base-Backbone interact. energy: -5.273 local terms energy: -756.942734 where: bonds (distance) C4'-P energy: -134.734 bonds (distance) P-C4' energy: -129.833 flat angles C4'-P-C4' energy: -159.385 flat angles P-C4'-P energy: -111.343 tors. eta vs tors. theta energy: -221.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2431.463798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.463798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.463798 (E_RNA) where: Base-Base interactions energy: -1730.228 where: short stacking energy: -726.634 Base-Backbone interact. energy: -2.760 local terms energy: -698.476202 where: bonds (distance) C4'-P energy: -124.582 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -148.668 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -178.449 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: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2341.678721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.678721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.678721 (E_RNA) where: Base-Base interactions energy: -1636.776 where: short stacking energy: -695.640 Base-Backbone interact. energy: -2.639 local terms energy: -702.263858 where: bonds (distance) C4'-P energy: -132.285 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -151.686 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -203.987 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: 369 Temperature: 1.050000 Total energy: -2325.447711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.447711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.447711 (E_RNA) where: Base-Base interactions energy: -1635.127 where: short stacking energy: -710.923 Base-Backbone interact. energy: -1.409 local terms energy: -688.912496 where: bonds (distance) C4'-P energy: -126.061 bonds (distance) P-C4' energy: -112.283 flat angles C4'-P-C4' energy: -147.390 flat angles P-C4'-P energy: -99.300 tors. eta vs tors. theta energy: -203.878 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: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2154.828635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.828635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.828635 (E_RNA) where: Base-Base interactions energy: -1520.287 where: short stacking energy: -645.459 Base-Backbone interact. energy: -1.628 local terms energy: -632.913625 where: bonds (distance) C4'-P energy: -119.880 bonds (distance) P-C4' energy: -120.319 flat angles C4'-P-C4' energy: -143.908 flat angles P-C4'-P energy: -88.948 tors. eta vs tors. theta energy: -159.859 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: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1987.896298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.896298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.896298 (E_RNA) where: Base-Base interactions energy: -1356.753 where: short stacking energy: -592.003 Base-Backbone interact. energy: -1.417 local terms energy: -629.726599 where: bonds (distance) C4'-P energy: -129.329 bonds (distance) P-C4' energy: -118.836 flat angles C4'-P-C4' energy: -147.924 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -153.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1923.055621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.055621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.055621 (E_RNA) where: Base-Base interactions energy: -1315.332 where: short stacking energy: -564.313 Base-Backbone interact. energy: -2.068 local terms energy: -605.655625 where: bonds (distance) C4'-P energy: -118.427 bonds (distance) P-C4' energy: -109.453 flat angles C4'-P-C4' energy: -146.957 flat angles P-C4'-P energy: -77.246 tors. eta vs tors. theta energy: -153.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1676.367718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.367718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.367718 (E_RNA) where: Base-Base interactions energy: -1158.541 where: short stacking energy: -483.367 Base-Backbone interact. energy: -2.232 local terms energy: -515.594743 where: bonds (distance) C4'-P energy: -95.982 bonds (distance) P-C4' energy: -111.214 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -106.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1579.027941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.027941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.027941 (E_RNA) where: Base-Base interactions energy: -1068.518 where: short stacking energy: -460.389 Base-Backbone interact. energy: -1.793 local terms energy: -508.717390 where: bonds (distance) C4'-P energy: -107.308 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -91.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1151.732895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.732895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.732895 (E_RNA) where: Base-Base interactions energy: -734.415 where: short stacking energy: -325.997 Base-Backbone interact. energy: 1.658 local terms energy: -418.976328 where: bonds (distance) C4'-P energy: -92.703 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -116.995 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -32.638 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: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2520.326342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.326342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.326342 (E_RNA) where: Base-Base interactions energy: -1774.724 where: short stacking energy: -755.466 Base-Backbone interact. energy: -5.983 local terms energy: -739.618853 where: bonds (distance) C4'-P energy: -121.303 bonds (distance) P-C4' energy: -145.520 flat angles C4'-P-C4' energy: -161.557 flat angles P-C4'-P energy: -100.837 tors. eta vs tors. theta energy: -210.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2406.171362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.171362 (E_RNA) where: Base-Base interactions energy: -1709.230 where: short stacking energy: -709.145 Base-Backbone interact. energy: 1.573 local terms energy: -699.266527 where: bonds (distance) C4'-P energy: -129.244 bonds (distance) P-C4' energy: -139.503 flat angles C4'-P-C4' energy: -155.388 flat angles P-C4'-P energy: -93.335 tors. eta vs tors. theta energy: -181.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.752 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2357.838477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.838477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.838477 (E_RNA) where: Base-Base interactions energy: -1669.019 where: short stacking energy: -718.800 Base-Backbone interact. energy: -1.667 local terms energy: -687.152821 where: bonds (distance) C4'-P energy: -118.088 bonds (distance) P-C4' energy: -113.766 flat angles C4'-P-C4' energy: -153.214 flat angles P-C4'-P energy: -99.368 tors. eta vs tors. theta energy: -202.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2271.200455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.200455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.200455 (E_RNA) where: Base-Base interactions energy: -1598.058 where: short stacking energy: -670.216 Base-Backbone interact. energy: 0.338 local terms energy: -673.480146 where: bonds (distance) C4'-P energy: -108.550 bonds (distance) P-C4' energy: -124.255 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -106.939 tors. eta vs tors. theta energy: -187.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2140.761248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.761248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.761248 (E_RNA) where: Base-Base interactions energy: -1518.233 where: short stacking energy: -642.166 Base-Backbone interact. energy: -4.454 local terms energy: -618.074717 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -114.875 flat angles C4'-P-C4' energy: -130.632 flat angles P-C4'-P energy: -94.405 tors. eta vs tors. theta energy: -162.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1945.366532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.366532 (E_RNA) where: Base-Base interactions energy: -1330.494 where: short stacking energy: -602.065 Base-Backbone interact. energy: -5.253 local terms energy: -609.619184 where: bonds (distance) C4'-P energy: -103.283 bonds (distance) P-C4' energy: -128.675 flat angles C4'-P-C4' energy: -134.831 flat angles P-C4'-P energy: -91.091 tors. eta vs tors. theta energy: -151.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1933.850691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.850691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.850691 (E_RNA) where: Base-Base interactions energy: -1350.952 where: short stacking energy: -581.762 Base-Backbone interact. energy: 0.707 local terms energy: -583.605304 where: bonds (distance) C4'-P energy: -102.031 bonds (distance) P-C4' energy: -122.329 flat angles C4'-P-C4' energy: -134.593 flat angles P-C4'-P energy: -79.323 tors. eta vs tors. theta energy: -145.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1676.410546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.410546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.410546 (E_RNA) where: Base-Base interactions energy: -1140.811 where: short stacking energy: -520.423 Base-Backbone interact. energy: 1.535 local terms energy: -537.133908 where: bonds (distance) C4'-P energy: -113.222 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -122.713 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1668.777893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.777893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.777893 (E_RNA) where: Base-Base interactions energy: -1126.830 where: short stacking energy: -483.666 Base-Backbone interact. energy: -0.084 local terms energy: -541.864402 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -119.653 flat angles C4'-P-C4' energy: -123.206 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -110.502 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: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1170.506708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.506708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.506708 (E_RNA) where: Base-Base interactions energy: -768.690 where: short stacking energy: -348.183 Base-Backbone interact. energy: -0.569 local terms energy: -401.248168 where: bonds (distance) C4'-P energy: -107.869 bonds (distance) P-C4' energy: -84.434 flat angles C4'-P-C4' energy: -95.159 flat angles P-C4'-P energy: -58.421 tors. eta vs tors. theta energy: -55.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2516.884968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.884968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.884968 (E_RNA) where: Base-Base interactions energy: -1761.873 where: short stacking energy: -775.709 Base-Backbone interact. energy: -5.388 local terms energy: -749.624115 where: bonds (distance) C4'-P energy: -124.165 bonds (distance) P-C4' energy: -138.945 flat angles C4'-P-C4' energy: -158.976 flat angles P-C4'-P energy: -106.176 tors. eta vs tors. theta energy: -221.363 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: 371 Temperature: 0.950000 Total energy: -2432.061973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.061973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.061973 (E_RNA) where: Base-Base interactions energy: -1726.975 where: short stacking energy: -724.547 Base-Backbone interact. energy: 1.474 local terms energy: -706.560445 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -144.265 flat angles C4'-P-C4' energy: -151.804 flat angles P-C4'-P energy: -95.094 tors. eta vs tors. theta energy: -182.861 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: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2305.745048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.745048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.745048 (E_RNA) where: Base-Base interactions energy: -1598.235 where: short stacking energy: -705.641 Base-Backbone interact. energy: -0.795 local terms energy: -706.715522 where: bonds (distance) C4'-P energy: -130.995 bonds (distance) P-C4' energy: -122.207 flat angles C4'-P-C4' energy: -151.303 flat angles P-C4'-P energy: -102.616 tors. eta vs tors. theta energy: -199.596 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: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2275.174689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.174689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.174689 (E_RNA) where: Base-Base interactions energy: -1579.244 where: short stacking energy: -695.840 Base-Backbone interact. energy: -3.185 local terms energy: -692.745375 where: bonds (distance) C4'-P energy: -137.686 bonds (distance) P-C4' energy: -136.482 flat angles C4'-P-C4' energy: -141.633 flat angles P-C4'-P energy: -87.880 tors. eta vs tors. theta energy: -189.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2093.324215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.324215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.324215 (E_RNA) where: Base-Base interactions energy: -1467.378 where: short stacking energy: -602.408 Base-Backbone interact. energy: -2.915 local terms energy: -623.031165 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -115.531 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -89.324 tors. eta vs tors. theta energy: -144.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1953.307149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.307149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.307149 (E_RNA) where: Base-Base interactions energy: -1344.410 where: short stacking energy: -559.756 Base-Backbone interact. energy: -1.382 local terms energy: -607.514798 where: bonds (distance) C4'-P energy: -119.579 bonds (distance) P-C4' energy: -121.884 flat angles C4'-P-C4' energy: -136.852 flat angles P-C4'-P energy: -90.863 tors. eta vs tors. theta energy: -138.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1915.736878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.736878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.736878 (E_RNA) where: Base-Base interactions energy: -1360.485 where: short stacking energy: -571.977 Base-Backbone interact. energy: -1.359 local terms energy: -553.892241 where: bonds (distance) C4'-P energy: -101.318 bonds (distance) P-C4' energy: -113.154 flat angles C4'-P-C4' energy: -121.008 flat angles P-C4'-P energy: -85.375 tors. eta vs tors. theta energy: -133.037 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: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1715.707917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.707917 (E_RNA) where: Base-Base interactions energy: -1169.868 where: short stacking energy: -530.547 Base-Backbone interact. energy: 1.555 local terms energy: -547.395140 where: bonds (distance) C4'-P energy: -117.193 bonds (distance) P-C4' energy: -111.619 flat angles C4'-P-C4' energy: -123.691 flat angles P-C4'-P energy: -66.440 tors. eta vs tors. theta energy: -128.453 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: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1593.361504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.361504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.361504 (E_RNA) where: Base-Base interactions energy: -1090.504 where: short stacking energy: -482.578 Base-Backbone interact. energy: -1.123 local terms energy: -501.734179 where: bonds (distance) C4'-P energy: -101.454 bonds (distance) P-C4' energy: -110.075 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -72.080 tors. eta vs tors. theta energy: -108.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1189.408416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.408416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.408416 (E_RNA) where: Base-Base interactions energy: -782.649 where: short stacking energy: -366.321 Base-Backbone interact. energy: 1.432 local terms energy: -408.191344 where: bonds (distance) C4'-P energy: -101.718 bonds (distance) P-C4' energy: -118.761 flat angles C4'-P-C4' energy: -84.963 flat angles P-C4'-P energy: -71.706 tors. eta vs tors. theta energy: -31.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2495.767146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.767146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.767146 (E_RNA) where: Base-Base interactions energy: -1759.189 where: short stacking energy: -771.951 Base-Backbone interact. energy: -4.187 local terms energy: -732.391148 where: bonds (distance) C4'-P energy: -122.072 bonds (distance) P-C4' energy: -123.695 flat angles C4'-P-C4' energy: -169.011 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: -216.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2408.469332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.469332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.469332 (E_RNA) where: Base-Base interactions energy: -1711.237 where: short stacking energy: -711.671 Base-Backbone interact. energy: -2.241 local terms energy: -695.749209 where: bonds (distance) C4'-P energy: -132.869 bonds (distance) P-C4' energy: -134.220 flat angles C4'-P-C4' energy: -153.146 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -186.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.757 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2305.685326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.685326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.685326 (E_RNA) where: Base-Base interactions energy: -1586.653 where: short stacking energy: -702.743 Base-Backbone interact. energy: 0.428 local terms energy: -719.460584 where: bonds (distance) C4'-P energy: -140.328 bonds (distance) P-C4' energy: -131.499 flat angles C4'-P-C4' energy: -164.104 flat angles P-C4'-P energy: -90.741 tors. eta vs tors. theta energy: -192.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2295.885785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.885785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.885785 (E_RNA) where: Base-Base interactions energy: -1620.258 where: short stacking energy: -716.817 Base-Backbone interact. energy: -3.058 local terms energy: -672.569765 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -141.500 flat angles C4'-P-C4' energy: -146.642 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -193.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2113.578807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.578807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.578807 (E_RNA) where: Base-Base interactions energy: -1482.464 where: short stacking energy: -616.149 Base-Backbone interact. energy: -2.507 local terms energy: -628.608088 where: bonds (distance) C4'-P energy: -116.838 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -152.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2010.687461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.687461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.687461 (E_RNA) where: Base-Base interactions energy: -1398.556 where: short stacking energy: -607.293 Base-Backbone interact. energy: -3.203 local terms energy: -608.928780 where: bonds (distance) C4'-P energy: -117.260 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -144.221 flat angles P-C4'-P energy: -86.085 tors. eta vs tors. theta energy: -141.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1956.749440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.749440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.749440 (E_RNA) where: Base-Base interactions energy: -1379.807 where: short stacking energy: -572.638 Base-Backbone interact. energy: 1.727 local terms energy: -578.668918 where: bonds (distance) C4'-P energy: -113.426 bonds (distance) P-C4' energy: -103.786 flat angles C4'-P-C4' energy: -127.383 flat angles P-C4'-P energy: -87.304 tors. eta vs tors. theta energy: -146.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1689.669584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.669584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.669584 (E_RNA) where: Base-Base interactions energy: -1134.087 where: short stacking energy: -493.982 Base-Backbone interact. energy: 4.655 local terms energy: -560.237817 where: bonds (distance) C4'-P energy: -118.423 bonds (distance) P-C4' energy: -116.607 flat angles C4'-P-C4' energy: -127.677 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -119.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1567.834436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.834436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.834436 (E_RNA) where: Base-Base interactions energy: -1037.257 where: short stacking energy: -431.923 Base-Backbone interact. energy: -0.922 local terms energy: -529.655562 where: bonds (distance) C4'-P energy: -118.474 bonds (distance) P-C4' energy: -123.549 flat angles C4'-P-C4' energy: -125.142 flat angles P-C4'-P energy: -65.290 tors. eta vs tors. theta energy: -97.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1193.877031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.877031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.877031 (E_RNA) where: Base-Base interactions energy: -751.884 where: short stacking energy: -343.752 Base-Backbone interact. energy: -3.031 local terms energy: -438.961940 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -119.632 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -60.960 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: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2511.739556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.739556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.739556 (E_RNA) where: Base-Base interactions energy: -1737.650 where: short stacking energy: -799.633 Base-Backbone interact. energy: -6.280 local terms energy: -767.809199 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -145.719 flat angles C4'-P-C4' energy: -150.640 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -218.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2422.069033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.069033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.069033 (E_RNA) where: Base-Base interactions energy: -1721.324 where: short stacking energy: -734.663 Base-Backbone interact. energy: 0.218 local terms energy: -700.962287 where: bonds (distance) C4'-P energy: -119.627 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -150.951 flat angles P-C4'-P energy: -100.347 tors. eta vs tors. theta energy: -195.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2344.298855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.298855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.298855 (E_RNA) where: Base-Base interactions energy: -1634.924 where: short stacking energy: -715.775 Base-Backbone interact. energy: -2.488 local terms energy: -706.886933 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -128.614 flat angles C4'-P-C4' energy: -150.899 flat angles P-C4'-P energy: -87.449 tors. eta vs tors. theta energy: -202.173 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: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2302.612311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.612311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.612311 (E_RNA) where: Base-Base interactions energy: -1585.147 where: short stacking energy: -694.563 Base-Backbone interact. energy: 1.361 local terms energy: -718.826763 where: bonds (distance) C4'-P energy: -129.499 bonds (distance) P-C4' energy: -138.235 flat angles C4'-P-C4' energy: -159.133 flat angles P-C4'-P energy: -98.972 tors. eta vs tors. theta energy: -192.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2182.765139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.765139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.765139 (E_RNA) where: Base-Base interactions energy: -1541.016 where: short stacking energy: -664.654 Base-Backbone interact. energy: -0.522 local terms energy: -641.226360 where: bonds (distance) C4'-P energy: -128.754 bonds (distance) P-C4' energy: -125.821 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -90.421 tors. eta vs tors. theta energy: -166.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2027.967852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.967852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.967852 (E_RNA) where: Base-Base interactions energy: -1392.264 where: short stacking energy: -600.354 Base-Backbone interact. energy: -1.551 local terms energy: -634.153554 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -122.463 flat angles C4'-P-C4' energy: -153.338 flat angles P-C4'-P energy: -89.223 tors. eta vs tors. theta energy: -150.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1959.644275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.644275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.644275 (E_RNA) where: Base-Base interactions energy: -1377.542 where: short stacking energy: -568.751 Base-Backbone interact. energy: -3.480 local terms energy: -578.622237 where: bonds (distance) C4'-P energy: -128.732 bonds (distance) P-C4' energy: -108.435 flat angles C4'-P-C4' energy: -119.371 flat angles P-C4'-P energy: -90.162 tors. eta vs tors. theta energy: -131.922 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: 373 Temperature: 1.250000 Total energy: -1685.987070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.987070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.987070 (E_RNA) where: Base-Base interactions energy: -1150.150 where: short stacking energy: -505.716 Base-Backbone interact. energy: 1.998 local terms energy: -537.834669 where: bonds (distance) C4'-P energy: -117.647 bonds (distance) P-C4' energy: -103.768 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -79.514 tors. eta vs tors. theta energy: -115.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1567.366318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.366318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.366318 (E_RNA) where: Base-Base interactions energy: -1064.239 where: short stacking energy: -450.187 Base-Backbone interact. energy: 0.820 local terms energy: -503.947150 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -113.908 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -95.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1166.775246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.775246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.775246 (E_RNA) where: Base-Base interactions energy: -740.398 where: short stacking energy: -327.155 Base-Backbone interact. energy: -1.326 local terms energy: -425.051076 where: bonds (distance) C4'-P energy: -103.164 bonds (distance) P-C4' energy: -123.893 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -18.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2526.454639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.454639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.454639 (E_RNA) where: Base-Base interactions energy: -1744.059 where: short stacking energy: -778.729 Base-Backbone interact. energy: -1.843 local terms energy: -780.552686 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -143.175 flat angles C4'-P-C4' energy: -163.841 flat angles P-C4'-P energy: -115.312 tors. eta vs tors. theta energy: -224.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2420.913838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.913838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.913838 (E_RNA) where: Base-Base interactions energy: -1714.356 where: short stacking energy: -727.416 Base-Backbone interact. energy: 2.425 local terms energy: -708.982747 where: bonds (distance) C4'-P energy: -125.836 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -150.948 flat angles P-C4'-P energy: -102.555 tors. eta vs tors. theta energy: -188.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2350.824760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.824760 (E_RNA) where: Base-Base interactions energy: -1627.296 where: short stacking energy: -709.452 Base-Backbone interact. energy: -0.928 local terms energy: -722.600486 where: bonds (distance) C4'-P energy: -118.728 bonds (distance) P-C4' energy: -140.548 flat angles C4'-P-C4' energy: -157.044 flat angles P-C4'-P energy: -110.530 tors. eta vs tors. theta energy: -195.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2234.653566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.653566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.653566 (E_RNA) where: Base-Base interactions energy: -1571.962 where: short stacking energy: -693.682 Base-Backbone interact. energy: -1.923 local terms energy: -660.769317 where: bonds (distance) C4'-P energy: -131.085 bonds (distance) P-C4' energy: -117.144 flat angles C4'-P-C4' energy: -145.758 flat angles P-C4'-P energy: -88.449 tors. eta vs tors. theta energy: -178.334 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: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2168.146913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.146913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.146913 (E_RNA) where: Base-Base interactions energy: -1544.313 where: short stacking energy: -667.437 Base-Backbone interact. energy: -1.924 local terms energy: -621.910508 where: bonds (distance) C4'-P energy: -116.484 bonds (distance) P-C4' energy: -116.602 flat angles C4'-P-C4' energy: -154.220 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -156.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2079.485660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.485660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.485660 (E_RNA) where: Base-Base interactions energy: -1455.083 where: short stacking energy: -607.505 Base-Backbone interact. energy: -1.030 local terms energy: -623.372556 where: bonds (distance) C4'-P energy: -115.852 bonds (distance) P-C4' energy: -114.887 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -95.907 tors. eta vs tors. theta energy: -162.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1942.683191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.683191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.683191 (E_RNA) where: Base-Base interactions energy: -1371.109 where: short stacking energy: -574.964 Base-Backbone interact. energy: 0.636 local terms energy: -572.210323 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -113.089 flat angles C4'-P-C4' energy: -127.167 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -151.269 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: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1671.703536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.703536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.703536 (E_RNA) where: Base-Base interactions energy: -1139.237 where: short stacking energy: -504.240 Base-Backbone interact. energy: -1.923 local terms energy: -530.543287 where: bonds (distance) C4'-P energy: -102.958 bonds (distance) P-C4' energy: -98.594 flat angles C4'-P-C4' energy: -120.632 flat angles P-C4'-P energy: -77.570 tors. eta vs tors. theta energy: -130.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1590.025580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.025580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.025580 (E_RNA) where: Base-Base interactions energy: -1091.376 where: short stacking energy: -469.294 Base-Backbone interact. energy: -5.593 local terms energy: -493.056542 where: bonds (distance) C4'-P energy: -105.806 bonds (distance) P-C4' energy: -108.613 flat angles C4'-P-C4' energy: -126.698 flat angles P-C4'-P energy: -56.465 tors. eta vs tors. theta energy: -95.475 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: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1190.160256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.160256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.160256 (E_RNA) where: Base-Base interactions energy: -758.632 where: short stacking energy: -338.369 Base-Backbone interact. energy: -2.064 local terms energy: -429.464614 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -116.181 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -58.346 tors. eta vs tors. theta energy: -43.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2522.375254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.375254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.375254 (E_RNA) where: Base-Base interactions energy: -1744.400 where: short stacking energy: -748.988 Base-Backbone interact. energy: -1.421 local terms energy: -776.554449 where: bonds (distance) C4'-P energy: -145.522 bonds (distance) P-C4' energy: -145.959 flat angles C4'-P-C4' energy: -157.461 flat angles P-C4'-P energy: -106.540 tors. eta vs tors. theta energy: -221.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2465.772008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.772008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.772008 (E_RNA) where: Base-Base interactions energy: -1740.691 where: short stacking energy: -703.439 Base-Backbone interact. energy: -0.777 local terms energy: -724.304408 where: bonds (distance) C4'-P energy: -136.821 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -148.789 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -197.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2383.791671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.791671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.791671 (E_RNA) where: Base-Base interactions energy: -1685.546 where: short stacking energy: -735.139 Base-Backbone interact. energy: -2.027 local terms energy: -696.218387 where: bonds (distance) C4'-P energy: -132.855 bonds (distance) P-C4' energy: -117.110 flat angles C4'-P-C4' energy: -150.155 flat angles P-C4'-P energy: -93.687 tors. eta vs tors. theta energy: -202.412 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2306.357539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.357539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.357539 (E_RNA) where: Base-Base interactions energy: -1614.464 where: short stacking energy: -705.971 Base-Backbone interact. energy: -2.050 local terms energy: -689.843345 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -156.738 flat angles P-C4'-P energy: -77.806 tors. eta vs tors. theta energy: -208.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2145.459657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.459657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.459657 (E_RNA) where: Base-Base interactions energy: -1485.342 where: short stacking energy: -618.341 Base-Backbone interact. energy: 5.214 local terms energy: -665.331693 where: bonds (distance) C4'-P energy: -133.747 bonds (distance) P-C4' energy: -123.219 flat angles C4'-P-C4' energy: -150.141 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -158.971 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: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2092.681637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.681637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.681637 (E_RNA) where: Base-Base interactions energy: -1474.562 where: short stacking energy: -594.317 Base-Backbone interact. energy: 0.740 local terms energy: -618.859605 where: bonds (distance) C4'-P energy: -109.698 bonds (distance) P-C4' energy: -112.204 flat angles C4'-P-C4' energy: -148.124 flat angles P-C4'-P energy: -98.066 tors. eta vs tors. theta energy: -150.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1944.402642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.402642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.402642 (E_RNA) where: Base-Base interactions energy: -1365.613 where: short stacking energy: -587.496 Base-Backbone interact. energy: -1.427 local terms energy: -577.362566 where: bonds (distance) C4'-P energy: -104.015 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -128.702 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: -147.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1669.390009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.390009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.390009 (E_RNA) where: Base-Base interactions energy: -1138.650 where: short stacking energy: -506.497 Base-Backbone interact. energy: -1.913 local terms energy: -528.826466 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -124.740 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -70.104 tors. eta vs tors. theta energy: -103.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1559.930546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.930546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.930546 (E_RNA) where: Base-Base interactions energy: -1083.349 where: short stacking energy: -471.534 Base-Backbone interact. energy: -1.012 local terms energy: -475.569368 where: bonds (distance) C4'-P energy: -105.284 bonds (distance) P-C4' energy: -110.497 flat angles C4'-P-C4' energy: -102.861 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -107.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1205.331646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.331646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.331646 (E_RNA) where: Base-Base interactions energy: -784.697 where: short stacking energy: -361.601 Base-Backbone interact. energy: -0.998 local terms energy: -419.636473 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -97.079 flat angles P-C4'-P energy: -51.888 tors. eta vs tors. theta energy: -47.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2494.908310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.908310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.908310 (E_RNA) where: Base-Base interactions energy: -1747.056 where: short stacking energy: -738.247 Base-Backbone interact. energy: -2.212 local terms energy: -745.639984 where: bonds (distance) C4'-P energy: -137.736 bonds (distance) P-C4' energy: -149.424 flat angles C4'-P-C4' energy: -153.332 flat angles P-C4'-P energy: -109.633 tors. eta vs tors. theta energy: -195.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2465.123233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.123233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.123233 (E_RNA) where: Base-Base interactions energy: -1718.427 where: short stacking energy: -772.542 Base-Backbone interact. energy: -2.598 local terms energy: -744.098034 where: bonds (distance) C4'-P energy: -134.058 bonds (distance) P-C4' energy: -127.279 flat angles C4'-P-C4' energy: -166.446 flat angles P-C4'-P energy: -101.220 tors. eta vs tors. theta energy: -215.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2399.563536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.563536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.563536 (E_RNA) where: Base-Base interactions energy: -1677.882 where: short stacking energy: -726.442 Base-Backbone interact. energy: -3.023 local terms energy: -718.658491 where: bonds (distance) C4'-P energy: -115.082 bonds (distance) P-C4' energy: -126.720 flat angles C4'-P-C4' energy: -156.899 flat angles P-C4'-P energy: -106.463 tors. eta vs tors. theta energy: -213.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2279.470531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.470531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.470531 (E_RNA) where: Base-Base interactions energy: -1618.645 where: short stacking energy: -723.439 Base-Backbone interact. energy: -1.686 local terms energy: -659.139638 where: bonds (distance) C4'-P energy: -114.185 bonds (distance) P-C4' energy: -119.308 flat angles C4'-P-C4' energy: -139.762 flat angles P-C4'-P energy: -98.137 tors. eta vs tors. theta energy: -187.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2157.748915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.748915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.748915 (E_RNA) where: Base-Base interactions energy: -1525.817 where: short stacking energy: -635.574 Base-Backbone interact. energy: 1.592 local terms energy: -633.523913 where: bonds (distance) C4'-P energy: -103.077 bonds (distance) P-C4' energy: -126.091 flat angles C4'-P-C4' energy: -140.029 flat angles P-C4'-P energy: -92.894 tors. eta vs tors. theta energy: -171.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2085.960183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.960183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.960183 (E_RNA) where: Base-Base interactions energy: -1476.813 where: short stacking energy: -626.335 Base-Backbone interact. energy: -3.532 local terms energy: -605.615688 where: bonds (distance) C4'-P energy: -104.903 bonds (distance) P-C4' energy: -113.438 flat angles C4'-P-C4' energy: -138.627 flat angles P-C4'-P energy: -80.352 tors. eta vs tors. theta energy: -168.297 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: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1908.301048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.301048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.301048 (E_RNA) where: Base-Base interactions energy: -1330.224 where: short stacking energy: -574.645 Base-Backbone interact. energy: 5.203 local terms energy: -583.280133 where: bonds (distance) C4'-P energy: -118.323 bonds (distance) P-C4' energy: -122.598 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -138.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1719.465746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.465746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.465746 (E_RNA) where: Base-Base interactions energy: -1158.305 where: short stacking energy: -520.119 Base-Backbone interact. energy: -2.824 local terms energy: -558.337268 where: bonds (distance) C4'-P energy: -97.736 bonds (distance) P-C4' energy: -117.486 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -78.996 tors. eta vs tors. theta energy: -141.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1588.174152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.174152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.174152 (E_RNA) where: Base-Base interactions energy: -1081.311 where: short stacking energy: -475.946 Base-Backbone interact. energy: 0.822 local terms energy: -507.685210 where: bonds (distance) C4'-P energy: -114.917 bonds (distance) P-C4' energy: -109.827 flat angles C4'-P-C4' energy: -119.844 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -105.435 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: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1169.067706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.067706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.067706 (E_RNA) where: Base-Base interactions energy: -728.971 where: short stacking energy: -320.841 Base-Backbone interact. energy: 3.285 local terms energy: -443.380750 where: bonds (distance) C4'-P energy: -90.824 bonds (distance) P-C4' energy: -116.592 flat angles C4'-P-C4' energy: -122.623 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -36.936 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: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2505.532198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.532198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.532198 (E_RNA) where: Base-Base interactions energy: -1777.799 where: short stacking energy: -752.669 Base-Backbone interact. energy: -0.069 local terms energy: -727.663611 where: bonds (distance) C4'-P energy: -127.807 bonds (distance) P-C4' energy: -134.909 flat angles C4'-P-C4' energy: -157.946 flat angles P-C4'-P energy: -106.784 tors. eta vs tors. theta energy: -200.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2450.464361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.464361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.464361 (E_RNA) where: Base-Base interactions energy: -1719.934 where: short stacking energy: -753.003 Base-Backbone interact. energy: -1.695 local terms energy: -728.835346 where: bonds (distance) C4'-P energy: -132.232 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -159.640 flat angles P-C4'-P energy: -92.672 tors. eta vs tors. theta energy: -211.002 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: 377 Temperature: 1.000000 Total energy: -2357.375435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.375435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.375435 (E_RNA) where: Base-Base interactions energy: -1644.506 where: short stacking energy: -728.997 Base-Backbone interact. energy: -3.386 local terms energy: -709.483923 where: bonds (distance) C4'-P energy: -141.461 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -84.101 tors. eta vs tors. theta energy: -196.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2291.360597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.360597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.360597 (E_RNA) where: Base-Base interactions energy: -1602.603 where: short stacking energy: -705.852 Base-Backbone interact. energy: -3.301 local terms energy: -685.456276 where: bonds (distance) C4'-P energy: -119.749 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -151.712 flat angles P-C4'-P energy: -94.531 tors. eta vs tors. theta energy: -200.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2171.729145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.729145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.729145 (E_RNA) where: Base-Base interactions energy: -1539.282 where: short stacking energy: -647.169 Base-Backbone interact. energy: -0.462 local terms energy: -631.985560 where: bonds (distance) C4'-P energy: -124.130 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -163.017 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -166.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2094.510657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.510657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.510657 (E_RNA) where: Base-Base interactions energy: -1495.045 where: short stacking energy: -584.577 Base-Backbone interact. energy: -1.450 local terms energy: -598.015203 where: bonds (distance) C4'-P energy: -101.331 bonds (distance) P-C4' energy: -124.225 flat angles C4'-P-C4' energy: -139.716 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -143.305 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: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1956.505487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.505487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.505487 (E_RNA) where: Base-Base interactions energy: -1340.904 where: short stacking energy: -577.100 Base-Backbone interact. energy: -3.148 local terms energy: -612.453845 where: bonds (distance) C4'-P energy: -103.149 bonds (distance) P-C4' energy: -133.518 flat angles C4'-P-C4' energy: -140.101 flat angles P-C4'-P energy: -85.560 tors. eta vs tors. theta energy: -150.125 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: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1723.618745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.618745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.618745 (E_RNA) where: Base-Base interactions energy: -1191.323 where: short stacking energy: -522.950 Base-Backbone interact. energy: -1.711 local terms energy: -530.584879 where: bonds (distance) C4'-P energy: -102.943 bonds (distance) P-C4' energy: -122.622 flat angles C4'-P-C4' energy: -127.010 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -110.523 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: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1635.747850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.747850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.747850 (E_RNA) where: Base-Base interactions energy: -1111.787 where: short stacking energy: -479.393 Base-Backbone interact. energy: 1.079 local terms energy: -525.039596 where: bonds (distance) C4'-P energy: -114.936 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -118.863 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -97.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1187.437652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.437652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.437652 (E_RNA) where: Base-Base interactions energy: -743.933 where: short stacking energy: -329.533 Base-Backbone interact. energy: -1.675 local terms energy: -441.830249 where: bonds (distance) C4'-P energy: -94.657 bonds (distance) P-C4' energy: -121.820 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -36.829 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: 378 Temperature: 0.900000 Total energy: -2518.590593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.590593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.590593 (E_RNA) where: Base-Base interactions energy: -1732.835 where: short stacking energy: -764.865 Base-Backbone interact. energy: -4.359 local terms energy: -781.396817 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -152.966 flat angles C4'-P-C4' energy: -161.126 flat angles P-C4'-P energy: -110.093 tors. eta vs tors. theta energy: -221.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2441.553785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.553785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.553785 (E_RNA) where: Base-Base interactions energy: -1732.153 where: short stacking energy: -734.631 Base-Backbone interact. energy: -3.104 local terms energy: -706.297151 where: bonds (distance) C4'-P energy: -129.084 bonds (distance) P-C4' energy: -131.082 flat angles C4'-P-C4' energy: -146.446 flat angles P-C4'-P energy: -104.788 tors. eta vs tors. theta energy: -194.896 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: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2362.246430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.246430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.246430 (E_RNA) where: Base-Base interactions energy: -1641.664 where: short stacking energy: -706.819 Base-Backbone interact. energy: -2.643 local terms energy: -717.939487 where: bonds (distance) C4'-P energy: -131.591 bonds (distance) P-C4' energy: -129.568 flat angles C4'-P-C4' energy: -151.795 flat angles P-C4'-P energy: -102.998 tors. eta vs tors. theta energy: -201.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2257.645433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.645433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.645433 (E_RNA) where: Base-Base interactions energy: -1584.543 where: short stacking energy: -694.504 Base-Backbone interact. energy: 1.058 local terms energy: -674.160258 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -145.896 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -187.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2087.666745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.666745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.666745 (E_RNA) where: Base-Base interactions energy: -1467.309 where: short stacking energy: -578.585 Base-Backbone interact. energy: -0.799 local terms energy: -619.558429 where: bonds (distance) C4'-P energy: -121.887 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -142.086 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -133.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2049.158272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.158272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.158272 (E_RNA) where: Base-Base interactions energy: -1452.594 where: short stacking energy: -591.072 Base-Backbone interact. energy: 0.982 local terms energy: -597.545593 where: bonds (distance) C4'-P energy: -122.421 bonds (distance) P-C4' energy: -113.614 flat angles C4'-P-C4' energy: -136.062 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -144.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1949.333310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.333310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.333310 (E_RNA) where: Base-Base interactions energy: -1377.274 where: short stacking energy: -573.138 Base-Backbone interact. energy: -2.213 local terms energy: -569.846644 where: bonds (distance) C4'-P energy: -106.217 bonds (distance) P-C4' energy: -105.953 flat angles C4'-P-C4' energy: -127.345 flat angles P-C4'-P energy: -91.788 tors. eta vs tors. theta energy: -138.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1643.253146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.253146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.253146 (E_RNA) where: Base-Base interactions energy: -1122.680 where: short stacking energy: -477.496 Base-Backbone interact. energy: 0.208 local terms energy: -520.780930 where: bonds (distance) C4'-P energy: -118.198 bonds (distance) P-C4' energy: -96.600 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -75.095 tors. eta vs tors. theta energy: -100.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1587.159681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.159681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.159681 (E_RNA) where: Base-Base interactions energy: -1082.311 where: short stacking energy: -474.518 Base-Backbone interact. energy: 4.829 local terms energy: -509.677337 where: bonds (distance) C4'-P energy: -112.498 bonds (distance) P-C4' energy: -102.451 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -60.811 tors. eta vs tors. theta energy: -103.466 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: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1210.569788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.569788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.569788 (E_RNA) where: Base-Base interactions energy: -771.317 where: short stacking energy: -341.629 Base-Backbone interact. energy: 1.290 local terms energy: -440.543259 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -98.896 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: -61.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2516.245161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.245161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.245161 (E_RNA) where: Base-Base interactions energy: -1770.621 where: short stacking energy: -780.682 Base-Backbone interact. energy: -1.542 local terms energy: -744.082972 where: bonds (distance) C4'-P energy: -132.805 bonds (distance) P-C4' energy: -130.341 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -114.839 tors. eta vs tors. theta energy: -211.086 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: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2465.760438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.760438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.760438 (E_RNA) where: Base-Base interactions energy: -1770.370 where: short stacking energy: -727.129 Base-Backbone interact. energy: -2.146 local terms energy: -693.244624 where: bonds (distance) C4'-P energy: -127.570 bonds (distance) P-C4' energy: -128.007 flat angles C4'-P-C4' energy: -148.817 flat angles P-C4'-P energy: -98.230 tors. eta vs tors. theta energy: -190.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2355.985604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.985604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.985604 (E_RNA) where: Base-Base interactions energy: -1647.784 where: short stacking energy: -720.864 Base-Backbone interact. energy: -2.136 local terms energy: -706.065797 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -127.965 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -196.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2278.125895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.125895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.125895 (E_RNA) where: Base-Base interactions energy: -1600.007 where: short stacking energy: -683.669 Base-Backbone interact. energy: -1.804 local terms energy: -676.314720 where: bonds (distance) C4'-P energy: -116.838 bonds (distance) P-C4' energy: -131.135 flat angles C4'-P-C4' energy: -145.361 flat angles P-C4'-P energy: -97.164 tors. eta vs tors. theta energy: -185.816 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: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2174.747862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.747862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.747862 (E_RNA) where: Base-Base interactions energy: -1535.483 where: short stacking energy: -653.594 Base-Backbone interact. energy: -0.134 local terms energy: -639.130544 where: bonds (distance) C4'-P energy: -120.133 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -143.037 flat angles P-C4'-P energy: -84.057 tors. eta vs tors. theta energy: -170.790 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: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2039.578346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.578346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.578346 (E_RNA) where: Base-Base interactions energy: -1423.025 where: short stacking energy: -598.413 Base-Backbone interact. energy: -1.893 local terms energy: -614.660706 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -127.642 flat angles C4'-P-C4' energy: -138.426 flat angles P-C4'-P energy: -92.124 tors. eta vs tors. theta energy: -151.699 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: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1931.863939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.863939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.863939 (E_RNA) where: Base-Base interactions energy: -1352.293 where: short stacking energy: -564.229 Base-Backbone interact. energy: -3.081 local terms energy: -576.490556 where: bonds (distance) C4'-P energy: -120.430 bonds (distance) P-C4' energy: -105.374 flat angles C4'-P-C4' energy: -133.735 flat angles P-C4'-P energy: -80.773 tors. eta vs tors. theta energy: -136.177 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1697.346096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.346096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.346096 (E_RNA) where: Base-Base interactions energy: -1160.091 where: short stacking energy: -503.366 Base-Backbone interact. energy: -2.510 local terms energy: -534.745047 where: bonds (distance) C4'-P energy: -103.812 bonds (distance) P-C4' energy: -107.356 flat angles C4'-P-C4' energy: -125.801 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -124.303 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1574.296854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.296854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.296854 (E_RNA) where: Base-Base interactions energy: -1045.179 where: short stacking energy: -458.235 Base-Backbone interact. energy: -0.968 local terms energy: -528.149478 where: bonds (distance) C4'-P energy: -117.239 bonds (distance) P-C4' energy: -118.664 flat angles C4'-P-C4' energy: -128.993 flat angles P-C4'-P energy: -58.382 tors. eta vs tors. theta energy: -104.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1160.613051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.613051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.613051 (E_RNA) where: Base-Base interactions energy: -718.931 where: short stacking energy: -341.026 Base-Backbone interact. energy: -0.316 local terms energy: -441.366059 where: bonds (distance) C4'-P energy: -120.219 bonds (distance) P-C4' energy: -109.116 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -43.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2513.617383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.617383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.617383 (E_RNA) where: Base-Base interactions energy: -1770.278 where: short stacking energy: -743.402 Base-Backbone interact. energy: -3.665 local terms energy: -739.674343 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -133.332 flat angles C4'-P-C4' energy: -152.669 flat angles P-C4'-P energy: -103.852 tors. eta vs tors. theta energy: -212.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2456.047227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.047227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.047227 (E_RNA) where: Base-Base interactions energy: -1730.708 where: short stacking energy: -765.753 Base-Backbone interact. energy: -4.971 local terms energy: -720.368394 where: bonds (distance) C4'-P energy: -115.712 bonds (distance) P-C4' energy: -131.825 flat angles C4'-P-C4' energy: -153.319 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -218.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2328.067802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.067802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.067802 (E_RNA) where: Base-Base interactions energy: -1607.602 where: short stacking energy: -695.534 Base-Backbone interact. energy: -3.906 local terms energy: -716.560093 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -136.586 flat angles C4'-P-C4' energy: -154.226 flat angles P-C4'-P energy: -110.378 tors. eta vs tors. theta energy: -191.913 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: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2246.777704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.777704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.777704 (E_RNA) where: Base-Base interactions energy: -1586.332 where: short stacking energy: -671.397 Base-Backbone interact. energy: -1.809 local terms energy: -658.636655 where: bonds (distance) C4'-P energy: -122.563 bonds (distance) P-C4' energy: -110.888 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -104.171 tors. eta vs tors. theta energy: -173.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2144.852762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.852762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.852762 (E_RNA) where: Base-Base interactions energy: -1473.952 where: short stacking energy: -636.509 Base-Backbone interact. energy: -2.253 local terms energy: -668.647707 where: bonds (distance) C4'-P energy: -129.932 bonds (distance) P-C4' energy: -121.514 flat angles C4'-P-C4' energy: -143.936 flat angles P-C4'-P energy: -95.408 tors. eta vs tors. theta energy: -177.859 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: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2030.198930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.198930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.198930 (E_RNA) where: Base-Base interactions energy: -1405.013 where: short stacking energy: -583.578 Base-Backbone interact. energy: -2.066 local terms energy: -623.120040 where: bonds (distance) C4'-P energy: -122.956 bonds (distance) P-C4' energy: -125.771 flat angles C4'-P-C4' energy: -132.710 flat angles P-C4'-P energy: -92.211 tors. eta vs tors. theta energy: -149.472 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: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1932.539985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.539985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.539985 (E_RNA) where: Base-Base interactions energy: -1332.862 where: short stacking energy: -561.608 Base-Backbone interact. energy: 5.788 local terms energy: -605.466492 where: bonds (distance) C4'-P energy: -134.019 bonds (distance) P-C4' energy: -102.876 flat angles C4'-P-C4' energy: -134.628 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -141.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1741.643966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.643966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.643966 (E_RNA) where: Base-Base interactions energy: -1190.505 where: short stacking energy: -510.584 Base-Backbone interact. energy: -3.224 local terms energy: -547.914231 where: bonds (distance) C4'-P energy: -112.659 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -125.201 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -123.631 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1537.903949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.903949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.903949 (E_RNA) where: Base-Base interactions energy: -1037.474 where: short stacking energy: -457.559 Base-Backbone interact. energy: -3.105 local terms energy: -497.324833 where: bonds (distance) C4'-P energy: -109.948 bonds (distance) P-C4' energy: -116.292 flat angles C4'-P-C4' energy: -104.449 flat angles P-C4'-P energy: -73.060 tors. eta vs tors. theta energy: -93.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1153.251183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.251183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.251183 (E_RNA) where: Base-Base interactions energy: -743.109 where: short stacking energy: -333.792 Base-Backbone interact. energy: -1.461 local terms energy: -408.681004 where: bonds (distance) C4'-P energy: -119.833 bonds (distance) P-C4' energy: -112.925 flat angles C4'-P-C4' energy: -98.033 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -27.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2533.665870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.665870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.665870 (E_RNA) where: Base-Base interactions energy: -1783.562 where: short stacking energy: -740.618 Base-Backbone interact. energy: -3.519 local terms energy: -746.584240 where: bonds (distance) C4'-P energy: -134.265 bonds (distance) P-C4' energy: -135.674 flat angles C4'-P-C4' energy: -161.061 flat angles P-C4'-P energy: -106.651 tors. eta vs tors. theta energy: -208.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2450.246535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.246535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.246535 (E_RNA) where: Base-Base interactions energy: -1720.956 where: short stacking energy: -759.342 Base-Backbone interact. energy: -0.524 local terms energy: -728.766477 where: bonds (distance) C4'-P energy: -119.302 bonds (distance) P-C4' energy: -132.720 flat angles C4'-P-C4' energy: -161.063 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -211.212 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: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2377.499116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.499116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.499116 (E_RNA) where: Base-Base interactions energy: -1658.077 where: short stacking energy: -756.370 Base-Backbone interact. energy: -0.333 local terms energy: -719.088686 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -133.023 flat angles C4'-P-C4' energy: -159.072 flat angles P-C4'-P energy: -95.932 tors. eta vs tors. theta energy: -205.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2259.861533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.861533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.861533 (E_RNA) where: Base-Base interactions energy: -1586.336 where: short stacking energy: -700.663 Base-Backbone interact. energy: -2.417 local terms energy: -671.107813 where: bonds (distance) C4'-P energy: -128.810 bonds (distance) P-C4' energy: -117.486 flat angles C4'-P-C4' energy: -147.592 flat angles P-C4'-P energy: -88.936 tors. eta vs tors. theta energy: -188.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2134.875353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.875353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.875353 (E_RNA) where: Base-Base interactions energy: -1488.309 where: short stacking energy: -629.098 Base-Backbone interact. energy: -1.251 local terms energy: -645.315091 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -126.280 flat angles C4'-P-C4' energy: -137.173 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -164.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2096.207564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.207564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.207564 (E_RNA) where: Base-Base interactions energy: -1483.065 where: short stacking energy: -593.912 Base-Backbone interact. energy: 2.980 local terms energy: -616.123241 where: bonds (distance) C4'-P energy: -114.408 bonds (distance) P-C4' energy: -121.378 flat angles C4'-P-C4' energy: -148.058 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -157.905 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: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1939.253390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.253390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.253390 (E_RNA) where: Base-Base interactions energy: -1330.678 where: short stacking energy: -587.923 Base-Backbone interact. energy: -4.195 local terms energy: -604.381013 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -121.749 flat angles C4'-P-C4' energy: -126.826 flat angles P-C4'-P energy: -90.439 tors. eta vs tors. theta energy: -147.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1644.943975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.943975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.943975 (E_RNA) where: Base-Base interactions energy: -1115.927 where: short stacking energy: -477.012 Base-Backbone interact. energy: -5.385 local terms energy: -523.631515 where: bonds (distance) C4'-P energy: -99.180 bonds (distance) P-C4' energy: -120.271 flat angles C4'-P-C4' energy: -123.652 flat angles P-C4'-P energy: -91.523 tors. eta vs tors. theta energy: -89.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1541.479260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.479260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.479260 (E_RNA) where: Base-Base interactions energy: -1069.265 where: short stacking energy: -478.563 Base-Backbone interact. energy: -0.242 local terms energy: -471.972236 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -95.624 flat angles C4'-P-C4' energy: -114.918 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -93.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1157.656549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.656549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.656549 (E_RNA) where: Base-Base interactions energy: -735.567 where: short stacking energy: -322.559 Base-Backbone interact. energy: 0.120 local terms energy: -422.210043 where: bonds (distance) C4'-P energy: -98.488 bonds (distance) P-C4' energy: -112.880 flat angles C4'-P-C4' energy: -102.296 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -44.522 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: 382 Temperature: 0.900000 Total energy: -2547.188718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.188718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.188718 (E_RNA) where: Base-Base interactions energy: -1815.078 where: short stacking energy: -758.126 Base-Backbone interact. energy: 2.864 local terms energy: -734.974800 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -123.152 flat angles C4'-P-C4' energy: -159.828 flat angles P-C4'-P energy: -109.756 tors. eta vs tors. theta energy: -204.930 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: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2433.867082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.867082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.867082 (E_RNA) where: Base-Base interactions energy: -1701.058 where: short stacking energy: -743.332 Base-Backbone interact. energy: 0.715 local terms energy: -733.524149 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -151.368 flat angles P-C4'-P energy: -107.304 tors. eta vs tors. theta energy: -207.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2373.734660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.734660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.734660 (E_RNA) where: Base-Base interactions energy: -1675.992 where: short stacking energy: -733.981 Base-Backbone interact. energy: -3.008 local terms energy: -694.734120 where: bonds (distance) C4'-P energy: -117.631 bonds (distance) P-C4' energy: -129.759 flat angles C4'-P-C4' energy: -146.288 flat angles P-C4'-P energy: -95.786 tors. eta vs tors. theta energy: -205.270 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: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2221.195374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.195374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.195374 (E_RNA) where: Base-Base interactions energy: -1574.094 where: short stacking energy: -660.548 Base-Backbone interact. energy: 1.243 local terms energy: -648.344921 where: bonds (distance) C4'-P energy: -113.954 bonds (distance) P-C4' energy: -134.719 flat angles C4'-P-C4' energy: -148.492 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -166.717 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: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2146.580933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.580933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.580933 (E_RNA) where: Base-Base interactions energy: -1508.357 where: short stacking energy: -629.016 Base-Backbone interact. energy: 0.272 local terms energy: -638.495332 where: bonds (distance) C4'-P energy: -105.502 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -148.575 flat angles P-C4'-P energy: -80.761 tors. eta vs tors. theta energy: -168.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2097.744653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.744653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.744653 (E_RNA) where: Base-Base interactions energy: -1490.919 where: short stacking energy: -614.285 Base-Backbone interact. energy: -4.493 local terms energy: -602.333017 where: bonds (distance) C4'-P energy: -109.554 bonds (distance) P-C4' energy: -119.152 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -78.721 tors. eta vs tors. theta energy: -159.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1959.091912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.091912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.091912 (E_RNA) where: Base-Base interactions energy: -1356.363 where: short stacking energy: -589.481 Base-Backbone interact. energy: -4.350 local terms energy: -598.378991 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -87.018 tors. eta vs tors. theta energy: -139.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1688.055068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.055068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.055068 (E_RNA) where: Base-Base interactions energy: -1130.713 where: short stacking energy: -493.447 Base-Backbone interact. energy: 4.986 local terms energy: -562.328654 where: bonds (distance) C4'-P energy: -104.129 bonds (distance) P-C4' energy: -130.641 flat angles C4'-P-C4' energy: -129.426 flat angles P-C4'-P energy: -76.387 tors. eta vs tors. theta energy: -121.744 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: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1559.976833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.976833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.976833 (E_RNA) where: Base-Base interactions energy: -1075.180 where: short stacking energy: -473.639 Base-Backbone interact. energy: 0.678 local terms energy: -485.475423 where: bonds (distance) C4'-P energy: -103.758 bonds (distance) P-C4' energy: -119.284 flat angles C4'-P-C4' energy: -94.794 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -99.629 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: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1155.150980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.150980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.150980 (E_RNA) where: Base-Base interactions energy: -738.306 where: short stacking energy: -342.692 Base-Backbone interact. energy: 5.071 local terms energy: -421.915874 where: bonds (distance) C4'-P energy: -90.865 bonds (distance) P-C4' energy: -119.005 flat angles C4'-P-C4' energy: -107.069 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -38.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2514.415740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.415740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.415740 (E_RNA) where: Base-Base interactions energy: -1782.008 where: short stacking energy: -732.392 Base-Backbone interact. energy: -3.602 local terms energy: -728.806416 where: bonds (distance) C4'-P energy: -140.760 bonds (distance) P-C4' energy: -130.373 flat angles C4'-P-C4' energy: -158.096 flat angles P-C4'-P energy: -91.104 tors. eta vs tors. theta energy: -208.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2438.696450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.696450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.696450 (E_RNA) where: Base-Base interactions energy: -1720.548 where: short stacking energy: -773.030 Base-Backbone interact. energy: -1.441 local terms energy: -716.707005 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -131.708 flat angles C4'-P-C4' energy: -144.142 flat angles P-C4'-P energy: -95.980 tors. eta vs tors. theta energy: -218.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2371.259184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.259184 (E_RNA) where: Base-Base interactions energy: -1631.411 where: short stacking energy: -723.866 Base-Backbone interact. energy: -0.605 local terms energy: -739.243279 where: bonds (distance) C4'-P energy: -137.616 bonds (distance) P-C4' energy: -134.235 flat angles C4'-P-C4' energy: -151.825 flat angles P-C4'-P energy: -108.479 tors. eta vs tors. theta energy: -207.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2256.248436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.248436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.248436 (E_RNA) where: Base-Base interactions energy: -1578.414 where: short stacking energy: -689.816 Base-Backbone interact. energy: -0.150 local terms energy: -677.684739 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -144.511 flat angles C4'-P-C4' energy: -141.362 flat angles P-C4'-P energy: -96.405 tors. eta vs tors. theta energy: -183.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2068.892096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.892096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.892096 (E_RNA) where: Base-Base interactions energy: -1432.458 where: short stacking energy: -607.042 Base-Backbone interact. energy: 4.239 local terms energy: -640.673259 where: bonds (distance) C4'-P energy: -128.256 bonds (distance) P-C4' energy: -115.634 flat angles C4'-P-C4' energy: -151.496 flat angles P-C4'-P energy: -90.102 tors. eta vs tors. theta energy: -155.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2070.323842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.323842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.323842 (E_RNA) where: Base-Base interactions energy: -1459.789 where: short stacking energy: -603.040 Base-Backbone interact. energy: -0.182 local terms energy: -610.353600 where: bonds (distance) C4'-P energy: -115.816 bonds (distance) P-C4' energy: -126.127 flat angles C4'-P-C4' energy: -127.265 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -142.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1960.400832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.400832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.400832 (E_RNA) where: Base-Base interactions energy: -1400.830 where: short stacking energy: -589.295 Base-Backbone interact. energy: -0.778 local terms energy: -558.792767 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -117.230 flat angles C4'-P-C4' energy: -133.788 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -143.977 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: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1698.364284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.364284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.364284 (E_RNA) where: Base-Base interactions energy: -1179.084 where: short stacking energy: -496.369 Base-Backbone interact. energy: 6.981 local terms energy: -526.260924 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -116.983 flat angles C4'-P-C4' energy: -129.478 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -92.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1582.928781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.928781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.928781 (E_RNA) where: Base-Base interactions energy: -1106.260 where: short stacking energy: -431.679 Base-Backbone interact. energy: 1.044 local terms energy: -477.712787 where: bonds (distance) C4'-P energy: -93.679 bonds (distance) P-C4' energy: -113.332 flat angles C4'-P-C4' energy: -112.227 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: -92.468 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: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1213.534993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.534993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.534993 (E_RNA) where: Base-Base interactions energy: -784.475 where: short stacking energy: -343.728 Base-Backbone interact. energy: -2.408 local terms energy: -426.652717 where: bonds (distance) C4'-P energy: -97.608 bonds (distance) P-C4' energy: -116.674 flat angles C4'-P-C4' energy: -92.735 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: -43.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2534.763032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.763032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.763032 (E_RNA) where: Base-Base interactions energy: -1800.113 where: short stacking energy: -760.043 Base-Backbone interact. energy: -1.329 local terms energy: -733.321452 where: bonds (distance) C4'-P energy: -138.547 bonds (distance) P-C4' energy: -149.178 flat angles C4'-P-C4' energy: -161.103 flat angles P-C4'-P energy: -87.523 tors. eta vs tors. theta energy: -196.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2451.962700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.962700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.962700 (E_RNA) where: Base-Base interactions energy: -1691.894 where: short stacking energy: -758.970 Base-Backbone interact. energy: -3.661 local terms energy: -756.407535 where: bonds (distance) C4'-P energy: -137.606 bonds (distance) P-C4' energy: -143.954 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -110.907 tors. eta vs tors. theta energy: -208.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2373.014818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.014818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.014818 (E_RNA) where: Base-Base interactions energy: -1639.343 where: short stacking energy: -720.101 Base-Backbone interact. energy: -3.224 local terms energy: -730.447385 where: bonds (distance) C4'-P energy: -137.205 bonds (distance) P-C4' energy: -136.288 flat angles C4'-P-C4' energy: -153.121 flat angles P-C4'-P energy: -95.738 tors. eta vs tors. theta energy: -208.096 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2250.291423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.291423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.291423 (E_RNA) where: Base-Base interactions energy: -1557.496 where: short stacking energy: -673.846 Base-Backbone interact. energy: -1.644 local terms energy: -691.151770 where: bonds (distance) C4'-P energy: -130.806 bonds (distance) P-C4' energy: -135.984 flat angles C4'-P-C4' energy: -145.157 flat angles P-C4'-P energy: -94.299 tors. eta vs tors. theta energy: -184.905 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2089.019443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.019443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.019443 (E_RNA) where: Base-Base interactions energy: -1474.429 where: short stacking energy: -611.004 Base-Backbone interact. energy: -2.176 local terms energy: -612.414329 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -147.539 flat angles P-C4'-P energy: -86.370 tors. eta vs tors. theta energy: -149.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2088.608746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.608746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.608746 (E_RNA) where: Base-Base interactions energy: -1453.996 where: short stacking energy: -606.687 Base-Backbone interact. energy: -3.662 local terms energy: -630.951527 where: bonds (distance) C4'-P energy: -103.692 bonds (distance) P-C4' energy: -129.034 flat angles C4'-P-C4' energy: -138.319 flat angles P-C4'-P energy: -99.615 tors. eta vs tors. theta energy: -160.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1951.109581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.109581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.109581 (E_RNA) where: Base-Base interactions energy: -1360.443 where: short stacking energy: -585.251 Base-Backbone interact. energy: -1.305 local terms energy: -589.361670 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -110.129 flat angles C4'-P-C4' energy: -134.124 flat angles P-C4'-P energy: -96.605 tors. eta vs tors. theta energy: -133.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1680.690406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.690406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.690406 (E_RNA) where: Base-Base interactions energy: -1146.148 where: short stacking energy: -498.219 Base-Backbone interact. energy: -0.502 local terms energy: -534.040601 where: bonds (distance) C4'-P energy: -118.182 bonds (distance) P-C4' energy: -105.746 flat angles C4'-P-C4' energy: -127.175 flat angles P-C4'-P energy: -77.184 tors. eta vs tors. theta energy: -105.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1585.593226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.593226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.593226 (E_RNA) where: Base-Base interactions energy: -1095.521 where: short stacking energy: -460.574 Base-Backbone interact. energy: -1.084 local terms energy: -488.988548 where: bonds (distance) C4'-P energy: -97.743 bonds (distance) P-C4' energy: -103.163 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -90.764 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1260.942808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.942808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.942808 (E_RNA) where: Base-Base interactions energy: -812.714 where: short stacking energy: -341.175 Base-Backbone interact. energy: -0.461 local terms energy: -447.768301 where: bonds (distance) C4'-P energy: -115.376 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -111.849 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -52.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2514.183082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.183082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.183082 (E_RNA) where: Base-Base interactions energy: -1795.888 where: short stacking energy: -730.544 Base-Backbone interact. energy: 0.816 local terms energy: -719.110978 where: bonds (distance) C4'-P energy: -143.069 bonds (distance) P-C4' energy: -131.096 flat angles C4'-P-C4' energy: -155.760 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: -198.550 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: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2460.927364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.927364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.927364 (E_RNA) where: Base-Base interactions energy: -1723.827 where: short stacking energy: -752.043 Base-Backbone interact. energy: -5.767 local terms energy: -731.333476 where: bonds (distance) C4'-P energy: -135.318 bonds (distance) P-C4' energy: -132.298 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -90.544 tors. eta vs tors. theta energy: -215.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2359.916463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.916463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.916463 (E_RNA) where: Base-Base interactions energy: -1659.192 where: short stacking energy: -726.984 Base-Backbone interact. energy: -1.702 local terms energy: -699.022872 where: bonds (distance) C4'-P energy: -128.836 bonds (distance) P-C4' energy: -129.546 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -206.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2263.190257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.190257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.190257 (E_RNA) where: Base-Base interactions energy: -1597.200 where: short stacking energy: -700.191 Base-Backbone interact. energy: 0.395 local terms energy: -666.385097 where: bonds (distance) C4'-P energy: -114.915 bonds (distance) P-C4' energy: -123.486 flat angles C4'-P-C4' energy: -137.891 flat angles P-C4'-P energy: -99.628 tors. eta vs tors. theta energy: -190.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2128.145934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.145934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.145934 (E_RNA) where: Base-Base interactions energy: -1482.330 where: short stacking energy: -621.866 Base-Backbone interact. energy: -2.708 local terms energy: -643.107714 where: bonds (distance) C4'-P energy: -105.869 bonds (distance) P-C4' energy: -127.453 flat angles C4'-P-C4' energy: -146.925 flat angles P-C4'-P energy: -91.110 tors. eta vs tors. theta energy: -171.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2068.543808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.543808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.543808 (E_RNA) where: Base-Base interactions energy: -1471.149 where: short stacking energy: -618.089 Base-Backbone interact. energy: -3.958 local terms energy: -593.436710 where: bonds (distance) C4'-P energy: -114.229 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -127.670 flat angles P-C4'-P energy: -82.717 tors. eta vs tors. theta energy: -151.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1966.008028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.008028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.008028 (E_RNA) where: Base-Base interactions energy: -1381.189 where: short stacking energy: -587.705 Base-Backbone interact. energy: 2.343 local terms energy: -587.161616 where: bonds (distance) C4'-P energy: -94.118 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -126.787 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -148.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1730.462365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.462365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.462365 (E_RNA) where: Base-Base interactions energy: -1174.894 where: short stacking energy: -524.063 Base-Backbone interact. energy: -2.126 local terms energy: -553.441877 where: bonds (distance) C4'-P energy: -116.800 bonds (distance) P-C4' energy: -114.812 flat angles C4'-P-C4' energy: -110.628 flat angles P-C4'-P energy: -94.133 tors. eta vs tors. theta energy: -117.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1566.585637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.585637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.585637 (E_RNA) where: Base-Base interactions energy: -1053.752 where: short stacking energy: -452.321 Base-Backbone interact. energy: 10.570 local terms energy: -523.403093 where: bonds (distance) C4'-P energy: -100.382 bonds (distance) P-C4' energy: -122.172 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -102.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1285.542822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.542822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.542822 (E_RNA) where: Base-Base interactions energy: -852.888 where: short stacking energy: -390.665 Base-Backbone interact. energy: 3.464 local terms energy: -436.118946 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -111.926 flat angles C4'-P-C4' energy: -107.701 flat angles P-C4'-P energy: -59.252 tors. eta vs tors. theta energy: -52.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2530.236367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.236367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.236367 (E_RNA) where: Base-Base interactions energy: -1774.651 where: short stacking energy: -720.075 Base-Backbone interact. energy: -2.849 local terms energy: -752.736281 where: bonds (distance) C4'-P energy: -140.493 bonds (distance) P-C4' energy: -146.721 flat angles C4'-P-C4' energy: -168.135 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -202.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2439.599815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.599815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.599815 (E_RNA) where: Base-Base interactions energy: -1688.267 where: short stacking energy: -762.375 Base-Backbone interact. energy: -1.919 local terms energy: -749.413909 where: bonds (distance) C4'-P energy: -129.521 bonds (distance) P-C4' energy: -135.446 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -218.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2316.343170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.343170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.343170 (E_RNA) where: Base-Base interactions energy: -1612.444 where: short stacking energy: -715.454 Base-Backbone interact. energy: -1.153 local terms energy: -702.745868 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -125.521 flat angles C4'-P-C4' energy: -156.572 flat angles P-C4'-P energy: -87.834 tors. eta vs tors. theta energy: -199.912 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: 386 Temperature: 1.050000 Total energy: -2251.132225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.132225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.132225 (E_RNA) where: Base-Base interactions energy: -1588.379 where: short stacking energy: -700.158 Base-Backbone interact. energy: -0.006 local terms energy: -664.277097 where: bonds (distance) C4'-P energy: -124.376 bonds (distance) P-C4' energy: -122.290 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -78.655 tors. eta vs tors. theta energy: -179.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.530 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2117.567425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.567425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.567425 (E_RNA) where: Base-Base interactions energy: -1510.156 where: short stacking energy: -635.445 Base-Backbone interact. energy: 0.927 local terms energy: -608.339209 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -105.839 flat angles C4'-P-C4' energy: -133.876 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -160.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2035.152764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.152764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.152764 (E_RNA) where: Base-Base interactions energy: -1420.606 where: short stacking energy: -626.480 Base-Backbone interact. energy: -3.107 local terms energy: -611.439452 where: bonds (distance) C4'-P energy: -98.316 bonds (distance) P-C4' energy: -122.596 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -160.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1981.038700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.038700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.038700 (E_RNA) where: Base-Base interactions energy: -1371.161 where: short stacking energy: -564.453 Base-Backbone interact. energy: -5.976 local terms energy: -603.901558 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -112.570 flat angles C4'-P-C4' energy: -127.854 flat angles P-C4'-P energy: -86.006 tors. eta vs tors. theta energy: -157.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1682.659279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.659279 (E_RNA) where: Base-Base interactions energy: -1136.397 where: short stacking energy: -495.791 Base-Backbone interact. energy: 2.478 local terms energy: -548.741050 where: bonds (distance) C4'-P energy: -106.647 bonds (distance) P-C4' energy: -115.269 flat angles C4'-P-C4' energy: -125.813 flat angles P-C4'-P energy: -95.524 tors. eta vs tors. theta energy: -105.487 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: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1518.470592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.470592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.470592 (E_RNA) where: Base-Base interactions energy: -1020.546 where: short stacking energy: -424.864 Base-Backbone interact. energy: -0.321 local terms energy: -497.604054 where: bonds (distance) C4'-P energy: -97.465 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -88.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1204.123466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.123466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.123466 (E_RNA) where: Base-Base interactions energy: -789.635 where: short stacking energy: -342.498 Base-Backbone interact. energy: 3.794 local terms energy: -418.282040 where: bonds (distance) C4'-P energy: -108.278 bonds (distance) P-C4' energy: -118.156 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -49.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2508.542506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.542506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.542506 (E_RNA) where: Base-Base interactions energy: -1789.035 where: short stacking energy: -750.091 Base-Backbone interact. energy: -0.777 local terms energy: -718.730308 where: bonds (distance) C4'-P energy: -133.845 bonds (distance) P-C4' energy: -126.910 flat angles C4'-P-C4' energy: -150.054 flat angles P-C4'-P energy: -99.094 tors. eta vs tors. theta energy: -208.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2455.310512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.310512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.310512 (E_RNA) where: Base-Base interactions energy: -1705.918 where: short stacking energy: -771.451 Base-Backbone interact. energy: 0.535 local terms energy: -749.927749 where: bonds (distance) C4'-P energy: -136.673 bonds (distance) P-C4' energy: -137.685 flat angles C4'-P-C4' energy: -153.517 flat angles P-C4'-P energy: -101.837 tors. eta vs tors. theta energy: -220.215 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: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2304.110323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.110323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.110323 (E_RNA) where: Base-Base interactions energy: -1622.692 where: short stacking energy: -677.545 Base-Backbone interact. energy: -3.322 local terms energy: -678.095827 where: bonds (distance) C4'-P energy: -126.540 bonds (distance) P-C4' energy: -119.042 flat angles C4'-P-C4' energy: -137.804 flat angles P-C4'-P energy: -93.026 tors. eta vs tors. theta energy: -201.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2273.657567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.657567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.657567 (E_RNA) where: Base-Base interactions energy: -1604.333 where: short stacking energy: -684.159 Base-Backbone interact. energy: 0.209 local terms energy: -669.533765 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -127.267 flat angles C4'-P-C4' energy: -144.094 flat angles P-C4'-P energy: -101.121 tors. eta vs tors. theta energy: -181.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2114.781185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.781185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.781185 (E_RNA) where: Base-Base interactions energy: -1497.972 where: short stacking energy: -635.707 Base-Backbone interact. energy: -0.764 local terms energy: -616.044338 where: bonds (distance) C4'-P energy: -117.734 bonds (distance) P-C4' energy: -121.762 flat angles C4'-P-C4' energy: -145.037 flat angles P-C4'-P energy: -73.495 tors. eta vs tors. theta energy: -158.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2029.090254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.090254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.090254 (E_RNA) where: Base-Base interactions energy: -1391.681 where: short stacking energy: -595.360 Base-Backbone interact. energy: -0.774 local terms energy: -636.635218 where: bonds (distance) C4'-P energy: -126.717 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -91.892 tors. eta vs tors. theta energy: -154.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1917.087652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.087652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.087652 (E_RNA) where: Base-Base interactions energy: -1333.280 where: short stacking energy: -557.189 Base-Backbone interact. energy: 0.333 local terms energy: -584.140849 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -132.598 flat angles P-C4'-P energy: -75.493 tors. eta vs tors. theta energy: -141.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1662.118013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.118013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.118013 (E_RNA) where: Base-Base interactions energy: -1130.041 where: short stacking energy: -479.719 Base-Backbone interact. energy: -0.662 local terms energy: -531.414462 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -107.850 flat angles C4'-P-C4' energy: -113.734 flat angles P-C4'-P energy: -77.735 tors. eta vs tors. theta energy: -108.755 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1572.357282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.357282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.357282 (E_RNA) where: Base-Base interactions energy: -1043.570 where: short stacking energy: -454.894 Base-Backbone interact. energy: -2.562 local terms energy: -526.225442 where: bonds (distance) C4'-P energy: -110.431 bonds (distance) P-C4' energy: -108.292 flat angles C4'-P-C4' energy: -120.108 flat angles P-C4'-P energy: -94.994 tors. eta vs tors. theta energy: -92.399 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: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1140.517570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.517570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.517570 (E_RNA) where: Base-Base interactions energy: -713.974 where: short stacking energy: -313.478 Base-Backbone interact. energy: 0.996 local terms energy: -427.539980 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -95.280 flat angles P-C4'-P energy: -61.016 tors. eta vs tors. theta energy: -33.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2541.399770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.399770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.399770 (E_RNA) where: Base-Base interactions energy: -1836.119 where: short stacking energy: -750.129 Base-Backbone interact. energy: -2.892 local terms energy: -702.388187 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -130.559 flat angles C4'-P-C4' energy: -149.665 flat angles P-C4'-P energy: -80.525 tors. eta vs tors. theta energy: -194.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2433.228734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.228734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.228734 (E_RNA) where: Base-Base interactions energy: -1681.159 where: short stacking energy: -723.341 Base-Backbone interact. energy: -3.008 local terms energy: -749.061753 where: bonds (distance) C4'-P energy: -135.322 bonds (distance) P-C4' energy: -139.529 flat angles C4'-P-C4' energy: -162.982 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -206.192 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: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2326.721967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.721967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.721967 (E_RNA) where: Base-Base interactions energy: -1619.356 where: short stacking energy: -683.669 Base-Backbone interact. energy: -2.397 local terms energy: -704.968520 where: bonds (distance) C4'-P energy: -125.777 bonds (distance) P-C4' energy: -137.784 flat angles C4'-P-C4' energy: -141.901 flat angles P-C4'-P energy: -97.049 tors. eta vs tors. theta energy: -202.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2283.709974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.709974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.709974 (E_RNA) where: Base-Base interactions energy: -1581.239 where: short stacking energy: -674.255 Base-Backbone interact. energy: -2.525 local terms energy: -699.945321 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -135.452 flat angles C4'-P-C4' energy: -145.100 flat angles P-C4'-P energy: -110.172 tors. eta vs tors. theta energy: -180.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2143.380567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.380567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.380567 (E_RNA) where: Base-Base interactions energy: -1499.276 where: short stacking energy: -634.589 Base-Backbone interact. energy: -0.700 local terms energy: -643.405175 where: bonds (distance) C4'-P energy: -111.505 bonds (distance) P-C4' energy: -126.158 flat angles C4'-P-C4' energy: -146.930 flat angles P-C4'-P energy: -85.638 tors. eta vs tors. theta energy: -173.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2055.371294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.371294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.371294 (E_RNA) where: Base-Base interactions energy: -1434.783 where: short stacking energy: -599.667 Base-Backbone interact. energy: -3.110 local terms energy: -617.479002 where: bonds (distance) C4'-P energy: -113.457 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -139.034 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -163.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1974.208400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.208400 (E_RNA) where: Base-Base interactions energy: -1396.624 where: short stacking energy: -579.095 Base-Backbone interact. energy: -0.113 local terms energy: -577.470445 where: bonds (distance) C4'-P energy: -98.631 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -135.170 flat angles P-C4'-P energy: -82.910 tors. eta vs tors. theta energy: -136.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1575.427898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.427898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.427898 (E_RNA) where: Base-Base interactions energy: -1067.161 where: short stacking energy: -464.868 Base-Backbone interact. energy: 4.850 local terms energy: -513.116969 where: bonds (distance) C4'-P energy: -100.285 bonds (distance) P-C4' energy: -117.366 flat angles C4'-P-C4' energy: -112.996 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -94.387 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: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1581.238452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.238452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.238452 (E_RNA) where: Base-Base interactions energy: -1098.500 where: short stacking energy: -473.884 Base-Backbone interact. energy: 0.134 local terms energy: -482.873356 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -91.385 flat angles C4'-P-C4' energy: -106.367 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -97.426 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: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1136.134190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.134190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.134190 (E_RNA) where: Base-Base interactions energy: -720.315 where: short stacking energy: -321.152 Base-Backbone interact. energy: 2.261 local terms energy: -418.080301 where: bonds (distance) C4'-P energy: -93.858 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -106.736 flat angles P-C4'-P energy: -76.028 tors. eta vs tors. theta energy: -22.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2544.949051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.949051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.949051 (E_RNA) where: Base-Base interactions energy: -1789.367 where: short stacking energy: -742.962 Base-Backbone interact. energy: 1.774 local terms energy: -757.356971 where: bonds (distance) C4'-P energy: -142.110 bonds (distance) P-C4' energy: -138.392 flat angles C4'-P-C4' energy: -162.676 flat angles P-C4'-P energy: -111.333 tors. eta vs tors. theta energy: -202.847 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2440.410534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.410534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.410534 (E_RNA) where: Base-Base interactions energy: -1704.514 where: short stacking energy: -749.292 Base-Backbone interact. energy: -3.265 local terms energy: -732.631432 where: bonds (distance) C4'-P energy: -124.550 bonds (distance) P-C4' energy: -136.577 flat angles C4'-P-C4' energy: -155.777 flat angles P-C4'-P energy: -106.955 tors. eta vs tors. theta energy: -208.772 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: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2351.766779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.766779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.766779 (E_RNA) where: Base-Base interactions energy: -1639.500 where: short stacking energy: -714.977 Base-Backbone interact. energy: -3.588 local terms energy: -708.678993 where: bonds (distance) C4'-P energy: -138.536 bonds (distance) P-C4' energy: -124.132 flat angles C4'-P-C4' energy: -154.958 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -193.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2289.482492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.482492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.482492 (E_RNA) where: Base-Base interactions energy: -1613.199 where: short stacking energy: -702.913 Base-Backbone interact. energy: -1.712 local terms energy: -674.572014 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -135.908 flat angles C4'-P-C4' energy: -145.181 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -196.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2138.809579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.809579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.809579 (E_RNA) where: Base-Base interactions energy: -1532.206 where: short stacking energy: -616.392 Base-Backbone interact. energy: -1.259 local terms energy: -605.344952 where: bonds (distance) C4'-P energy: -107.879 bonds (distance) P-C4' energy: -128.110 flat angles C4'-P-C4' energy: -136.667 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -146.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2044.774961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.774961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.774961 (E_RNA) where: Base-Base interactions energy: -1446.658 where: short stacking energy: -608.756 Base-Backbone interact. energy: 1.483 local terms energy: -599.600193 where: bonds (distance) C4'-P energy: -119.956 bonds (distance) P-C4' energy: -113.442 flat angles C4'-P-C4' energy: -128.204 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -157.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1939.065739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.065739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.065739 (E_RNA) where: Base-Base interactions energy: -1368.639 where: short stacking energy: -555.183 Base-Backbone interact. energy: -4.714 local terms energy: -565.713019 where: bonds (distance) C4'-P energy: -109.691 bonds (distance) P-C4' energy: -103.600 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -143.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1597.720919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.720919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.720919 (E_RNA) where: Base-Base interactions energy: -1086.254 where: short stacking energy: -494.211 Base-Backbone interact. energy: 1.405 local terms energy: -512.871621 where: bonds (distance) C4'-P energy: -98.545 bonds (distance) P-C4' energy: -124.305 flat angles C4'-P-C4' energy: -103.095 flat angles P-C4'-P energy: -76.313 tors. eta vs tors. theta energy: -110.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1588.259008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.259008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.259008 (E_RNA) where: Base-Base interactions energy: -1098.351 where: short stacking energy: -488.534 Base-Backbone interact. energy: -2.681 local terms energy: -487.226345 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -96.091 flat angles C4'-P-C4' energy: -127.393 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -92.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1160.418084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.418084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.418084 (E_RNA) where: Base-Base interactions energy: -766.523 where: short stacking energy: -336.617 Base-Backbone interact. energy: -1.180 local terms energy: -392.715079 where: bonds (distance) C4'-P energy: -91.550 bonds (distance) P-C4' energy: -104.917 flat angles C4'-P-C4' energy: -111.539 flat angles P-C4'-P energy: -35.309 tors. eta vs tors. theta energy: -49.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2529.491726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.491726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.491726 (E_RNA) where: Base-Base interactions energy: -1791.588 where: short stacking energy: -756.148 Base-Backbone interact. energy: -3.855 local terms energy: -734.048857 where: bonds (distance) C4'-P energy: -142.827 bonds (distance) P-C4' energy: -140.197 flat angles C4'-P-C4' energy: -151.357 flat angles P-C4'-P energy: -95.425 tors. eta vs tors. theta energy: -204.243 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: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2477.199562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.199562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.199562 (E_RNA) where: Base-Base interactions energy: -1735.016 where: short stacking energy: -764.754 Base-Backbone interact. energy: -3.012 local terms energy: -739.171450 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -141.243 flat angles C4'-P-C4' energy: -142.578 flat angles P-C4'-P energy: -100.917 tors. eta vs tors. theta energy: -220.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2342.770878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.770878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.770878 (E_RNA) where: Base-Base interactions energy: -1632.675 where: short stacking energy: -707.780 Base-Backbone interact. energy: -1.841 local terms energy: -708.391495 where: bonds (distance) C4'-P energy: -136.120 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -133.511 flat angles P-C4'-P energy: -104.709 tors. eta vs tors. theta energy: -199.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2248.998473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.998473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.998473 (E_RNA) where: Base-Base interactions energy: -1567.799 where: short stacking energy: -692.594 Base-Backbone interact. energy: -0.223 local terms energy: -680.977273 where: bonds (distance) C4'-P energy: -106.917 bonds (distance) P-C4' energy: -140.414 flat angles C4'-P-C4' energy: -152.877 flat angles P-C4'-P energy: -106.992 tors. eta vs tors. theta energy: -173.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2136.177278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.177278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.177278 (E_RNA) where: Base-Base interactions energy: -1479.898 where: short stacking energy: -614.203 Base-Backbone interact. energy: -0.391 local terms energy: -655.888632 where: bonds (distance) C4'-P energy: -128.474 bonds (distance) P-C4' energy: -138.506 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -105.560 tors. eta vs tors. theta energy: -158.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2022.155499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.155499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.155499 (E_RNA) where: Base-Base interactions energy: -1393.016 where: short stacking energy: -604.757 Base-Backbone interact. energy: -1.675 local terms energy: -627.465065 where: bonds (distance) C4'-P energy: -114.018 bonds (distance) P-C4' energy: -116.057 flat angles C4'-P-C4' energy: -138.956 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -169.896 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: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1969.151352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.151352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.151352 (E_RNA) where: Base-Base interactions energy: -1385.697 where: short stacking energy: -618.994 Base-Backbone interact. energy: -2.361 local terms energy: -581.092659 where: bonds (distance) C4'-P energy: -103.982 bonds (distance) P-C4' energy: -123.387 flat angles C4'-P-C4' energy: -123.504 flat angles P-C4'-P energy: -84.774 tors. eta vs tors. theta energy: -145.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1652.437118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.437118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.437118 (E_RNA) where: Base-Base interactions energy: -1118.202 where: short stacking energy: -522.595 Base-Backbone interact. energy: 0.694 local terms energy: -534.928952 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -108.577 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -82.254 tors. eta vs tors. theta energy: -111.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1605.481108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.481108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.481108 (E_RNA) where: Base-Base interactions energy: -1067.693 where: short stacking energy: -468.791 Base-Backbone interact. energy: -1.039 local terms energy: -536.749318 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -114.653 flat angles C4'-P-C4' energy: -127.656 flat angles P-C4'-P energy: -66.091 tors. eta vs tors. theta energy: -102.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1211.521949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.521949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.521949 (E_RNA) where: Base-Base interactions energy: -757.026 where: short stacking energy: -336.649 Base-Backbone interact. energy: 0.361 local terms energy: -454.856828 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -104.917 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -74.636 tors. eta vs tors. theta energy: -49.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2553.885212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.885212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.885212 (E_RNA) where: Base-Base interactions energy: -1828.995 where: short stacking energy: -762.895 Base-Backbone interact. energy: 0.651 local terms energy: -725.541304 where: bonds (distance) C4'-P energy: -143.162 bonds (distance) P-C4' energy: -133.343 flat angles C4'-P-C4' energy: -157.355 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -198.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2508.760978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.760978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.760978 (E_RNA) where: Base-Base interactions energy: -1759.405 where: short stacking energy: -782.809 Base-Backbone interact. energy: -3.769 local terms energy: -745.586972 where: bonds (distance) C4'-P energy: -121.219 bonds (distance) P-C4' energy: -124.424 flat angles C4'-P-C4' energy: -160.546 flat angles P-C4'-P energy: -110.788 tors. eta vs tors. theta energy: -228.611 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: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2319.149774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.149774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.149774 (E_RNA) where: Base-Base interactions energy: -1648.151 where: short stacking energy: -715.253 Base-Backbone interact. energy: -0.919 local terms energy: -670.080358 where: bonds (distance) C4'-P energy: -116.779 bonds (distance) P-C4' energy: -115.218 flat angles C4'-P-C4' energy: -136.115 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -201.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2226.744233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.744233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.744233 (E_RNA) where: Base-Base interactions energy: -1588.170 where: short stacking energy: -660.961 Base-Backbone interact. energy: 0.738 local terms energy: -639.312673 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -107.091 flat angles C4'-P-C4' energy: -152.058 flat angles P-C4'-P energy: -83.999 tors. eta vs tors. theta energy: -175.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2164.151729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.151729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.151729 (E_RNA) where: Base-Base interactions energy: -1540.233 where: short stacking energy: -653.327 Base-Backbone interact. energy: 2.865 local terms energy: -626.784170 where: bonds (distance) C4'-P energy: -123.421 bonds (distance) P-C4' energy: -119.558 flat angles C4'-P-C4' energy: -126.127 flat angles P-C4'-P energy: -77.429 tors. eta vs tors. theta energy: -180.249 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: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2035.035558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.035558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.035558 (E_RNA) where: Base-Base interactions energy: -1400.149 where: short stacking energy: -593.087 Base-Backbone interact. energy: -0.800 local terms energy: -634.086536 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -122.392 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -86.000 tors. eta vs tors. theta energy: -155.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1910.033965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.033965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.033965 (E_RNA) where: Base-Base interactions energy: -1318.798 where: short stacking energy: -558.401 Base-Backbone interact. energy: -3.251 local terms energy: -587.985373 where: bonds (distance) C4'-P energy: -121.235 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -128.604 flat angles P-C4'-P energy: -80.767 tors. eta vs tors. theta energy: -138.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1690.845908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.845908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.845908 (E_RNA) where: Base-Base interactions energy: -1171.845 where: short stacking energy: -497.372 Base-Backbone interact. energy: -4.006 local terms energy: -514.994731 where: bonds (distance) C4'-P energy: -103.728 bonds (distance) P-C4' energy: -95.799 flat angles C4'-P-C4' energy: -125.047 flat angles P-C4'-P energy: -74.957 tors. eta vs tors. theta energy: -115.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1534.407779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.407779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.407779 (E_RNA) where: Base-Base interactions energy: -1038.631 where: short stacking energy: -468.452 Base-Backbone interact. energy: -0.105 local terms energy: -495.671479 where: bonds (distance) C4'-P energy: -116.127 bonds (distance) P-C4' energy: -110.846 flat angles C4'-P-C4' energy: -108.959 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -95.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1163.324470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.324470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.324470 (E_RNA) where: Base-Base interactions energy: -710.071 where: short stacking energy: -328.402 Base-Backbone interact. energy: -1.873 local terms energy: -451.381241 where: bonds (distance) C4'-P energy: -112.022 bonds (distance) P-C4' energy: -113.542 flat angles C4'-P-C4' energy: -120.317 flat angles P-C4'-P energy: -75.057 tors. eta vs tors. theta energy: -30.444 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: 392 Temperature: 0.900000 Total energy: -2579.126180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.126180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.126180 (E_RNA) where: Base-Base interactions energy: -1837.696 where: short stacking energy: -753.856 Base-Backbone interact. energy: -2.777 local terms energy: -738.652774 where: bonds (distance) C4'-P energy: -147.981 bonds (distance) P-C4' energy: -135.068 flat angles C4'-P-C4' energy: -153.617 flat angles P-C4'-P energy: -107.331 tors. eta vs tors. theta energy: -194.656 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2460.109144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.109144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.109144 (E_RNA) where: Base-Base interactions energy: -1720.659 where: short stacking energy: -758.351 Base-Backbone interact. energy: -4.329 local terms energy: -735.120313 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -139.047 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -220.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2347.535240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.535240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.535240 (E_RNA) where: Base-Base interactions energy: -1631.154 where: short stacking energy: -697.786 Base-Backbone interact. energy: 0.550 local terms energy: -716.930874 where: bonds (distance) C4'-P energy: -114.610 bonds (distance) P-C4' energy: -136.556 flat angles C4'-P-C4' energy: -148.942 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -212.377 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: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2266.761724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.761724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.761724 (E_RNA) where: Base-Base interactions energy: -1598.272 where: short stacking energy: -665.836 Base-Backbone interact. energy: -3.875 local terms energy: -664.613979 where: bonds (distance) C4'-P energy: -130.433 bonds (distance) P-C4' energy: -114.304 flat angles C4'-P-C4' energy: -149.130 flat angles P-C4'-P energy: -91.816 tors. eta vs tors. theta energy: -178.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2162.655099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.655099 (E_RNA) where: Base-Base interactions energy: -1515.158 where: short stacking energy: -644.693 Base-Backbone interact. energy: 0.721 local terms energy: -648.218550 where: bonds (distance) C4'-P energy: -93.843 bonds (distance) P-C4' energy: -138.143 flat angles C4'-P-C4' energy: -147.322 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -168.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2046.188211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.188211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.188211 (E_RNA) where: Base-Base interactions energy: -1425.730 where: short stacking energy: -632.844 Base-Backbone interact. energy: -2.178 local terms energy: -618.280173 where: bonds (distance) C4'-P energy: -116.686 bonds (distance) P-C4' energy: -117.016 flat angles C4'-P-C4' energy: -140.013 flat angles P-C4'-P energy: -82.404 tors. eta vs tors. theta energy: -162.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1936.077843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.077843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.077843 (E_RNA) where: Base-Base interactions energy: -1391.718 where: short stacking energy: -601.095 Base-Backbone interact. energy: -2.681 local terms energy: -541.679667 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -133.419 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -137.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1653.182522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.182522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.182522 (E_RNA) where: Base-Base interactions energy: -1114.398 where: short stacking energy: -472.817 Base-Backbone interact. energy: 2.006 local terms energy: -540.790811 where: bonds (distance) C4'-P energy: -116.769 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -136.573 flat angles P-C4'-P energy: -75.864 tors. eta vs tors. theta energy: -94.837 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: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1515.425403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.425403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.425403 (E_RNA) where: Base-Base interactions energy: -998.073 where: short stacking energy: -454.144 Base-Backbone interact. energy: -2.060 local terms energy: -515.292388 where: bonds (distance) C4'-P energy: -124.244 bonds (distance) P-C4' energy: -99.869 flat angles C4'-P-C4' energy: -117.471 flat angles P-C4'-P energy: -83.460 tors. eta vs tors. theta energy: -90.248 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1191.738273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.738273 (E_RNA) where: Base-Base interactions energy: -776.578 where: short stacking energy: -337.456 Base-Backbone interact. energy: -0.202 local terms energy: -414.957781 where: bonds (distance) C4'-P energy: -105.180 bonds (distance) P-C4' energy: -111.904 flat angles C4'-P-C4' energy: -114.490 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -36.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2550.162471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.162471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.162471 (E_RNA) where: Base-Base interactions energy: -1807.910 where: short stacking energy: -728.175 Base-Backbone interact. energy: -0.367 local terms energy: -741.886281 where: bonds (distance) C4'-P energy: -149.389 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -157.305 flat angles P-C4'-P energy: -99.936 tors. eta vs tors. theta energy: -200.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2457.636113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.636113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.636113 (E_RNA) where: Base-Base interactions energy: -1728.169 where: short stacking energy: -777.050 Base-Backbone interact. energy: -6.209 local terms energy: -723.258159 where: bonds (distance) C4'-P energy: -117.923 bonds (distance) P-C4' energy: -144.928 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -93.331 tors. eta vs tors. theta energy: -210.337 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2343.273911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.273911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.273911 (E_RNA) where: Base-Base interactions energy: -1632.838 where: short stacking energy: -712.186 Base-Backbone interact. energy: -3.959 local terms energy: -706.477400 where: bonds (distance) C4'-P energy: -114.434 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -95.966 tors. eta vs tors. theta energy: -207.563 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: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2260.384582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.384582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.384582 (E_RNA) where: Base-Base interactions energy: -1573.584 where: short stacking energy: -673.186 Base-Backbone interact. energy: -0.304 local terms energy: -686.496704 where: bonds (distance) C4'-P energy: -131.497 bonds (distance) P-C4' energy: -123.609 flat angles C4'-P-C4' energy: -148.784 flat angles P-C4'-P energy: -102.600 tors. eta vs tors. theta energy: -180.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2162.399558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.399558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.399558 (E_RNA) where: Base-Base interactions energy: -1503.466 where: short stacking energy: -626.094 Base-Backbone interact. energy: -3.982 local terms energy: -654.950921 where: bonds (distance) C4'-P energy: -129.090 bonds (distance) P-C4' energy: -124.701 flat angles C4'-P-C4' energy: -138.880 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -167.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2030.870515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.870515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.870515 (E_RNA) where: Base-Base interactions energy: -1432.993 where: short stacking energy: -598.298 Base-Backbone interact. energy: 0.707 local terms energy: -598.584922 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -132.231 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -140.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1955.080094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.080094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.080094 (E_RNA) where: Base-Base interactions energy: -1368.862 where: short stacking energy: -572.950 Base-Backbone interact. energy: -0.875 local terms energy: -585.343168 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -116.546 flat angles C4'-P-C4' energy: -128.058 flat angles P-C4'-P energy: -96.737 tors. eta vs tors. theta energy: -131.607 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: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1613.433552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.433552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.433552 (E_RNA) where: Base-Base interactions energy: -1104.854 where: short stacking energy: -484.688 Base-Backbone interact. energy: 4.207 local terms energy: -512.786505 where: bonds (distance) C4'-P energy: -101.318 bonds (distance) P-C4' energy: -111.791 flat angles C4'-P-C4' energy: -116.274 flat angles P-C4'-P energy: -78.470 tors. eta vs tors. theta energy: -104.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1596.751533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.751533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.751533 (E_RNA) where: Base-Base interactions energy: -1096.082 where: short stacking energy: -468.507 Base-Backbone interact. energy: 0.597 local terms energy: -501.266049 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -94.648 flat angles C4'-P-C4' energy: -131.345 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -91.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1214.922512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.922512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.922512 (E_RNA) where: Base-Base interactions energy: -808.063 where: short stacking energy: -371.117 Base-Backbone interact. energy: -0.372 local terms energy: -406.487635 where: bonds (distance) C4'-P energy: -97.080 bonds (distance) P-C4' energy: -115.105 flat angles C4'-P-C4' energy: -80.525 flat angles P-C4'-P energy: -57.568 tors. eta vs tors. theta energy: -56.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2551.257736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.257736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.257736 (E_RNA) where: Base-Base interactions energy: -1823.212 where: short stacking energy: -732.828 Base-Backbone interact. energy: -1.140 local terms energy: -726.906082 where: bonds (distance) C4'-P energy: -134.172 bonds (distance) P-C4' energy: -149.138 flat angles C4'-P-C4' energy: -164.879 flat angles P-C4'-P energy: -90.445 tors. eta vs tors. theta energy: -188.273 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: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2494.050026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.050026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.050026 (E_RNA) where: Base-Base interactions energy: -1754.365 where: short stacking energy: -800.548 Base-Backbone interact. energy: -0.618 local terms energy: -739.067692 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -122.541 flat angles C4'-P-C4' energy: -156.963 flat angles P-C4'-P energy: -119.739 tors. eta vs tors. theta energy: -218.676 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: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2368.101996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.101996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.101996 (E_RNA) where: Base-Base interactions energy: -1633.014 where: short stacking energy: -730.209 Base-Backbone interact. energy: -3.955 local terms energy: -731.132340 where: bonds (distance) C4'-P energy: -130.801 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -163.539 flat angles P-C4'-P energy: -100.492 tors. eta vs tors. theta energy: -209.185 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: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2252.282646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.282646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.282646 (E_RNA) where: Base-Base interactions energy: -1607.476 where: short stacking energy: -698.666 Base-Backbone interact. energy: -0.937 local terms energy: -643.869546 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -118.596 flat angles C4'-P-C4' energy: -150.434 flat angles P-C4'-P energy: -84.099 tors. eta vs tors. theta energy: -185.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2103.183737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.183737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.183737 (E_RNA) where: Base-Base interactions energy: -1494.796 where: short stacking energy: -628.130 Base-Backbone interact. energy: -2.657 local terms energy: -605.730672 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -120.694 flat angles C4'-P-C4' energy: -127.964 flat angles P-C4'-P energy: -79.344 tors. eta vs tors. theta energy: -160.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2032.252696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.252696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.252696 (E_RNA) where: Base-Base interactions energy: -1430.854 where: short stacking energy: -603.491 Base-Backbone interact. energy: -4.742 local terms energy: -596.656086 where: bonds (distance) C4'-P energy: -101.928 bonds (distance) P-C4' energy: -120.073 flat angles C4'-P-C4' energy: -145.522 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -147.207 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: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1953.143381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.143381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.143381 (E_RNA) where: Base-Base interactions energy: -1334.665 where: short stacking energy: -580.613 Base-Backbone interact. energy: -1.280 local terms energy: -617.197874 where: bonds (distance) C4'-P energy: -121.212 bonds (distance) P-C4' energy: -129.293 flat angles C4'-P-C4' energy: -129.913 flat angles P-C4'-P energy: -87.157 tors. eta vs tors. theta energy: -149.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1638.502664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.502664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.502664 (E_RNA) where: Base-Base interactions energy: -1126.967 where: short stacking energy: -479.394 Base-Backbone interact. energy: -1.666 local terms energy: -509.870217 where: bonds (distance) C4'-P energy: -113.570 bonds (distance) P-C4' energy: -114.782 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -79.589 tors. eta vs tors. theta energy: -93.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1579.320206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.320206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.320206 (E_RNA) where: Base-Base interactions energy: -1090.014 where: short stacking energy: -447.757 Base-Backbone interact. energy: 1.182 local terms energy: -490.487566 where: bonds (distance) C4'-P energy: -93.517 bonds (distance) P-C4' energy: -112.041 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -89.039 tors. eta vs tors. theta energy: -93.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1240.572125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.572125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.572125 (E_RNA) where: Base-Base interactions energy: -801.068 where: short stacking energy: -397.259 Base-Backbone interact. energy: 0.371 local terms energy: -439.874427 where: bonds (distance) C4'-P energy: -105.806 bonds (distance) P-C4' energy: -105.972 flat angles C4'-P-C4' energy: -106.753 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: -57.026 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: 395 Temperature: 0.900000 Total energy: -2564.096850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.096850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.096850 (E_RNA) where: Base-Base interactions energy: -1827.090 where: short stacking energy: -731.627 Base-Backbone interact. energy: -1.192 local terms energy: -735.814788 where: bonds (distance) C4'-P energy: -146.565 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -100.422 tors. eta vs tors. theta energy: -201.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2474.953763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.953763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.953763 (E_RNA) where: Base-Base interactions energy: -1718.579 where: short stacking energy: -749.447 Base-Backbone interact. energy: -3.155 local terms energy: -753.219057 where: bonds (distance) C4'-P energy: -142.976 bonds (distance) P-C4' energy: -132.599 flat angles C4'-P-C4' energy: -152.361 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -210.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2376.287610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.287610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.287610 (E_RNA) where: Base-Base interactions energy: -1633.780 where: short stacking energy: -729.722 Base-Backbone interact. energy: -3.572 local terms energy: -738.934839 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -126.438 flat angles C4'-P-C4' energy: -158.071 flat angles P-C4'-P energy: -99.045 tors. eta vs tors. theta energy: -214.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2277.490681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.490681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.490681 (E_RNA) where: Base-Base interactions energy: -1608.551 where: short stacking energy: -702.350 Base-Backbone interact. energy: 2.118 local terms energy: -671.057753 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -139.069 flat angles C4'-P-C4' energy: -155.795 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -179.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2149.938538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.938538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.938538 (E_RNA) where: Base-Base interactions energy: -1522.704 where: short stacking energy: -626.666 Base-Backbone interact. energy: 2.237 local terms energy: -629.471492 where: bonds (distance) C4'-P energy: -113.619 bonds (distance) P-C4' energy: -108.915 flat angles C4'-P-C4' energy: -156.837 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -153.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2094.170162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.170162 (E_RNA) where: Base-Base interactions energy: -1459.908 where: short stacking energy: -626.398 Base-Backbone interact. energy: -2.765 local terms energy: -631.497498 where: bonds (distance) C4'-P energy: -123.328 bonds (distance) P-C4' energy: -132.440 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -88.508 tors. eta vs tors. theta energy: -156.073 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: 395 Temperature: 1.200000 Total energy: -1914.139145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.139145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.139145 (E_RNA) where: Base-Base interactions energy: -1328.255 where: short stacking energy: -557.617 Base-Backbone interact. energy: 1.350 local terms energy: -587.233539 where: bonds (distance) C4'-P energy: -123.721 bonds (distance) P-C4' energy: -113.882 flat angles C4'-P-C4' energy: -120.471 flat angles P-C4'-P energy: -85.697 tors. eta vs tors. theta energy: -143.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1718.784229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.784229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.784229 (E_RNA) where: Base-Base interactions energy: -1158.667 where: short stacking energy: -525.820 Base-Backbone interact. energy: -5.721 local terms energy: -554.395955 where: bonds (distance) C4'-P energy: -94.861 bonds (distance) P-C4' energy: -132.335 flat angles C4'-P-C4' energy: -124.280 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -134.349 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: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1578.887754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.887754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.887754 (E_RNA) where: Base-Base interactions energy: -1078.542 where: short stacking energy: -473.060 Base-Backbone interact. energy: 3.481 local terms energy: -503.827283 where: bonds (distance) C4'-P energy: -120.026 bonds (distance) P-C4' energy: -91.559 flat angles C4'-P-C4' energy: -112.972 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -98.286 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1158.627676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.627676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.627676 (E_RNA) where: Base-Base interactions energy: -748.122 where: short stacking energy: -338.850 Base-Backbone interact. energy: 1.047 local terms energy: -411.553024 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -119.951 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -43.286 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: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2566.581655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.581655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.581655 (E_RNA) where: Base-Base interactions energy: -1833.151 where: short stacking energy: -727.865 Base-Backbone interact. energy: 1.273 local terms energy: -734.702835 where: bonds (distance) C4'-P energy: -132.045 bonds (distance) P-C4' energy: -132.833 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -107.771 tors. eta vs tors. theta energy: -211.847 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: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2455.352129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.352129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.352129 (E_RNA) where: Base-Base interactions energy: -1727.394 where: short stacking energy: -757.330 Base-Backbone interact. energy: -1.477 local terms energy: -726.481152 where: bonds (distance) C4'-P energy: -123.447 bonds (distance) P-C4' energy: -126.640 flat angles C4'-P-C4' energy: -158.221 flat angles P-C4'-P energy: -104.600 tors. eta vs tors. theta energy: -213.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2352.531779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.531779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.531779 (E_RNA) where: Base-Base interactions energy: -1633.531 where: short stacking energy: -720.134 Base-Backbone interact. energy: -2.165 local terms energy: -716.836312 where: bonds (distance) C4'-P energy: -129.148 bonds (distance) P-C4' energy: -141.140 flat angles C4'-P-C4' energy: -154.460 flat angles P-C4'-P energy: -84.821 tors. eta vs tors. theta energy: -207.266 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: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2187.243764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.243764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.243764 (E_RNA) where: Base-Base interactions energy: -1514.941 where: short stacking energy: -640.325 Base-Backbone interact. energy: -2.690 local terms energy: -669.613030 where: bonds (distance) C4'-P energy: -143.561 bonds (distance) P-C4' energy: -124.301 flat angles C4'-P-C4' energy: -150.015 flat angles P-C4'-P energy: -89.344 tors. eta vs tors. theta energy: -162.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2150.384766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.384766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.384766 (E_RNA) where: Base-Base interactions energy: -1497.158 where: short stacking energy: -624.426 Base-Backbone interact. energy: -3.837 local terms energy: -649.388970 where: bonds (distance) C4'-P energy: -120.653 bonds (distance) P-C4' energy: -131.125 flat angles C4'-P-C4' energy: -150.216 flat angles P-C4'-P energy: -84.512 tors. eta vs tors. theta energy: -162.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2016.251590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.251590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.251590 (E_RNA) where: Base-Base interactions energy: -1407.354 where: short stacking energy: -597.240 Base-Backbone interact. energy: 0.972 local terms energy: -609.869970 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -124.465 flat angles C4'-P-C4' energy: -139.650 flat angles P-C4'-P energy: -77.850 tors. eta vs tors. theta energy: -146.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1984.745272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.745272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.745272 (E_RNA) where: Base-Base interactions energy: -1392.504 where: short stacking energy: -602.784 Base-Backbone interact. energy: 2.177 local terms energy: -594.418694 where: bonds (distance) C4'-P energy: -110.465 bonds (distance) P-C4' energy: -104.196 flat angles C4'-P-C4' energy: -129.526 flat angles P-C4'-P energy: -87.272 tors. eta vs tors. theta energy: -162.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1630.193808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.193808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.193808 (E_RNA) where: Base-Base interactions energy: -1092.169 where: short stacking energy: -475.415 Base-Backbone interact. energy: -0.072 local terms energy: -537.952934 where: bonds (distance) C4'-P energy: -110.905 bonds (distance) P-C4' energy: -126.130 flat angles C4'-P-C4' energy: -118.058 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -111.679 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: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1707.486165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.486165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.486165 (E_RNA) where: Base-Base interactions energy: -1162.947 where: short stacking energy: -501.134 Base-Backbone interact. energy: 1.599 local terms energy: -546.137393 where: bonds (distance) C4'-P energy: -118.248 bonds (distance) P-C4' energy: -118.161 flat angles C4'-P-C4' energy: -121.023 flat angles P-C4'-P energy: -74.429 tors. eta vs tors. theta energy: -114.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1162.043733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.043733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.043733 (E_RNA) where: Base-Base interactions energy: -721.738 where: short stacking energy: -318.009 Base-Backbone interact. energy: 2.538 local terms energy: -442.843795 where: bonds (distance) C4'-P energy: -115.900 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -96.957 flat angles P-C4'-P energy: -68.113 tors. eta vs tors. theta energy: -56.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2550.067202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.067202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.067202 (E_RNA) where: Base-Base interactions energy: -1804.134 where: short stacking energy: -734.710 Base-Backbone interact. energy: -4.710 local terms energy: -741.223888 where: bonds (distance) C4'-P energy: -131.369 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -155.732 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -198.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2438.319403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.319403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.319403 (E_RNA) where: Base-Base interactions energy: -1710.355 where: short stacking energy: -726.530 Base-Backbone interact. energy: 0.663 local terms energy: -728.626648 where: bonds (distance) C4'-P energy: -129.803 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -164.659 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -204.121 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2359.726627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.726627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.726627 (E_RNA) where: Base-Base interactions energy: -1625.998 where: short stacking energy: -708.009 Base-Backbone interact. energy: -3.195 local terms energy: -730.533400 where: bonds (distance) C4'-P energy: -137.453 bonds (distance) P-C4' energy: -137.568 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -98.265 tors. eta vs tors. theta energy: -210.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2230.685738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.685738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.685738 (E_RNA) where: Base-Base interactions energy: -1541.403 where: short stacking energy: -684.893 Base-Backbone interact. energy: -3.101 local terms energy: -686.182027 where: bonds (distance) C4'-P energy: -131.398 bonds (distance) P-C4' energy: -132.644 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -102.096 tors. eta vs tors. theta energy: -179.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2067.093826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.093826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.093826 (E_RNA) where: Base-Base interactions energy: -1443.953 where: short stacking energy: -613.576 Base-Backbone interact. energy: -1.646 local terms energy: -621.494670 where: bonds (distance) C4'-P energy: -106.674 bonds (distance) P-C4' energy: -130.073 flat angles C4'-P-C4' energy: -129.576 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -158.762 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: 397 Temperature: 1.150000 Total energy: -2014.120286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.120286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.120286 (E_RNA) where: Base-Base interactions energy: -1395.977 where: short stacking energy: -563.130 Base-Backbone interact. energy: 3.642 local terms energy: -621.784620 where: bonds (distance) C4'-P energy: -114.086 bonds (distance) P-C4' energy: -126.985 flat angles C4'-P-C4' energy: -152.461 flat angles P-C4'-P energy: -81.660 tors. eta vs tors. theta energy: -146.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1919.550548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.550548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.550548 (E_RNA) where: Base-Base interactions energy: -1365.032 where: short stacking energy: -549.863 Base-Backbone interact. energy: -3.855 local terms energy: -550.664278 where: bonds (distance) C4'-P energy: -98.682 bonds (distance) P-C4' energy: -92.930 flat angles C4'-P-C4' energy: -134.663 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -139.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1701.965326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.965326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.965326 (E_RNA) where: Base-Base interactions energy: -1180.353 where: short stacking energy: -508.841 Base-Backbone interact. energy: -0.219 local terms energy: -521.393247 where: bonds (distance) C4'-P energy: -101.366 bonds (distance) P-C4' energy: -115.790 flat angles C4'-P-C4' energy: -128.864 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -105.402 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: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1565.679035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.679035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.679035 (E_RNA) where: Base-Base interactions energy: -1062.466 where: short stacking energy: -447.887 Base-Backbone interact. energy: -0.138 local terms energy: -503.075563 where: bonds (distance) C4'-P energy: -112.698 bonds (distance) P-C4' energy: -111.625 flat angles C4'-P-C4' energy: -108.349 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -85.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1216.252211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.252211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.252211 (E_RNA) where: Base-Base interactions energy: -771.085 where: short stacking energy: -360.890 Base-Backbone interact. energy: 2.947 local terms energy: -448.114170 where: bonds (distance) C4'-P energy: -114.241 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -124.995 flat angles P-C4'-P energy: -50.714 tors. eta vs tors. theta energy: -49.363 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2541.140190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.140190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.140190 (E_RNA) where: Base-Base interactions energy: -1798.169 where: short stacking energy: -720.193 Base-Backbone interact. energy: 2.083 local terms energy: -745.054255 where: bonds (distance) C4'-P energy: -142.463 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -162.251 flat angles P-C4'-P energy: -105.601 tors. eta vs tors. theta energy: -205.922 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: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2458.623704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.623704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.623704 (E_RNA) where: Base-Base interactions energy: -1731.716 where: short stacking energy: -770.150 Base-Backbone interact. energy: 1.571 local terms energy: -728.478642 where: bonds (distance) C4'-P energy: -130.192 bonds (distance) P-C4' energy: -129.045 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -213.416 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2353.700206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.700206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.700206 (E_RNA) where: Base-Base interactions energy: -1642.661 where: short stacking energy: -700.381 Base-Backbone interact. energy: 0.481 local terms energy: -711.519896 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -154.484 flat angles P-C4'-P energy: -117.113 tors. eta vs tors. theta energy: -202.882 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: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2280.371654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.371654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.371654 (E_RNA) where: Base-Base interactions energy: -1593.402 where: short stacking energy: -717.500 Base-Backbone interact. energy: -2.439 local terms energy: -684.531040 where: bonds (distance) C4'-P energy: -122.193 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -139.529 flat angles P-C4'-P energy: -97.081 tors. eta vs tors. theta energy: -194.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2018.383959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.383959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.383959 (E_RNA) where: Base-Base interactions energy: -1423.667 where: short stacking energy: -597.208 Base-Backbone interact. energy: -0.230 local terms energy: -594.486469 where: bonds (distance) C4'-P energy: -112.033 bonds (distance) P-C4' energy: -126.024 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -138.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1990.063014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.063014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.063014 (E_RNA) where: Base-Base interactions energy: -1392.153 where: short stacking energy: -587.918 Base-Backbone interact. energy: -2.510 local terms energy: -595.400192 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -115.270 flat angles C4'-P-C4' energy: -128.116 flat angles P-C4'-P energy: -94.294 tors. eta vs tors. theta energy: -155.261 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: 7, replica: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1930.369183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.369183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.369183 (E_RNA) where: Base-Base interactions energy: -1337.281 where: short stacking energy: -563.131 Base-Backbone interact. energy: 3.482 local terms energy: -596.569960 where: bonds (distance) C4'-P energy: -124.345 bonds (distance) P-C4' energy: -113.358 flat angles C4'-P-C4' energy: -138.745 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -144.357 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: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1697.142852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.142852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.142852 (E_RNA) where: Base-Base interactions energy: -1120.092 where: short stacking energy: -486.259 Base-Backbone interact. energy: 6.172 local terms energy: -583.222200 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -112.590 flat angles C4'-P-C4' energy: -138.328 flat angles P-C4'-P energy: -96.109 tors. eta vs tors. theta energy: -115.129 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: 398 Temperature: 1.300000 Total energy: -1605.559811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.559811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.559811 (E_RNA) where: Base-Base interactions energy: -1087.548 where: short stacking energy: -505.156 Base-Backbone interact. energy: -1.429 local terms energy: -516.582181 where: bonds (distance) C4'-P energy: -95.701 bonds (distance) P-C4' energy: -129.160 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -108.933 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: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1192.278480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.278480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.278480 (E_RNA) where: Base-Base interactions energy: -758.031 where: short stacking energy: -349.624 Base-Backbone interact. energy: -1.676 local terms energy: -432.571566 where: bonds (distance) C4'-P energy: -107.413 bonds (distance) P-C4' energy: -122.158 flat angles C4'-P-C4' energy: -88.020 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -44.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2537.053836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.053836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.053836 (E_RNA) where: Base-Base interactions energy: -1817.504 where: short stacking energy: -747.934 Base-Backbone interact. energy: -1.364 local terms energy: -718.185506 where: bonds (distance) C4'-P energy: -133.596 bonds (distance) P-C4' energy: -141.535 flat angles C4'-P-C4' energy: -144.495 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -199.592 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: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2438.465187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.465187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.465187 (E_RNA) where: Base-Base interactions energy: -1720.872 where: short stacking energy: -755.640 Base-Backbone interact. energy: -0.381 local terms energy: -717.212834 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -144.418 flat angles C4'-P-C4' energy: -148.217 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -200.085 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2375.913634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.913634 (E_RNA) where: Base-Base interactions energy: -1663.181 where: short stacking energy: -712.815 Base-Backbone interact. energy: -1.803 local terms energy: -710.928840 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -114.538 flat angles C4'-P-C4' energy: -149.869 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -205.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2288.667629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.667629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.667629 (E_RNA) where: Base-Base interactions energy: -1588.527 where: short stacking energy: -697.991 Base-Backbone interact. energy: -3.545 local terms energy: -696.596283 where: bonds (distance) C4'-P energy: -122.063 bonds (distance) P-C4' energy: -130.061 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -103.207 tors. eta vs tors. theta energy: -192.700 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: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2032.611173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.611173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.611173 (E_RNA) where: Base-Base interactions energy: -1434.812 where: short stacking energy: -597.258 Base-Backbone interact. energy: 0.586 local terms energy: -598.385958 where: bonds (distance) C4'-P energy: -115.837 bonds (distance) P-C4' energy: -121.874 flat angles C4'-P-C4' energy: -143.270 flat angles P-C4'-P energy: -79.334 tors. eta vs tors. theta energy: -138.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1982.274174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.274174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.274174 (E_RNA) where: Base-Base interactions energy: -1395.036 where: short stacking energy: -586.701 Base-Backbone interact. energy: -1.382 local terms energy: -585.857046 where: bonds (distance) C4'-P energy: -112.603 bonds (distance) P-C4' energy: -129.761 flat angles C4'-P-C4' energy: -139.382 flat angles P-C4'-P energy: -70.130 tors. eta vs tors. theta energy: -133.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1918.523424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.523424 (E_RNA) where: Base-Base interactions energy: -1346.482 where: short stacking energy: -574.601 Base-Backbone interact. energy: -2.392 local terms energy: -569.649201 where: bonds (distance) C4'-P energy: -104.965 bonds (distance) P-C4' energy: -112.150 flat angles C4'-P-C4' energy: -126.913 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -152.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1660.745944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.745944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.745944 (E_RNA) where: Base-Base interactions energy: -1136.530 where: short stacking energy: -492.554 Base-Backbone interact. energy: -2.982 local terms energy: -521.233792 where: bonds (distance) C4'-P energy: -99.361 bonds (distance) P-C4' energy: -123.186 flat angles C4'-P-C4' energy: -115.565 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: -121.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1577.508922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.508922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.508922 (E_RNA) where: Base-Base interactions energy: -1070.688 where: short stacking energy: -467.155 Base-Backbone interact. energy: 0.063 local terms energy: -506.884509 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -139.656 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -105.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1147.960915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.960915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.960915 (E_RNA) where: Base-Base interactions energy: -734.292 where: short stacking energy: -341.841 Base-Backbone interact. energy: 6.834 local terms energy: -420.502362 where: bonds (distance) C4'-P energy: -100.387 bonds (distance) P-C4' energy: -123.713 flat angles C4'-P-C4' energy: -110.418 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -35.769 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: 400 Temperature: 0.900000 Total energy: -2606.320844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.320844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.320844 (E_RNA) where: Base-Base interactions energy: -1833.325 where: short stacking energy: -760.374 Base-Backbone interact. energy: -3.394 local terms energy: -769.601577 where: bonds (distance) C4'-P energy: -149.578 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -160.374 flat angles P-C4'-P energy: -108.696 tors. eta vs tors. theta energy: -206.315 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: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2440.988846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.988846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.988846 (E_RNA) where: Base-Base interactions energy: -1700.635 where: short stacking energy: -776.351 Base-Backbone interact. energy: -3.031 local terms energy: -737.322472 where: bonds (distance) C4'-P energy: -123.389 bonds (distance) P-C4' energy: -129.614 flat angles C4'-P-C4' energy: -156.424 flat angles P-C4'-P energy: -109.734 tors. eta vs tors. theta energy: -218.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2365.566283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.566283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.566283 (E_RNA) where: Base-Base interactions energy: -1631.693 where: short stacking energy: -723.110 Base-Backbone interact. energy: -2.706 local terms energy: -731.167103 where: bonds (distance) C4'-P energy: -113.553 bonds (distance) P-C4' energy: -138.445 flat angles C4'-P-C4' energy: -154.530 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -217.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2262.057047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.057047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.057047 (E_RNA) where: Base-Base interactions energy: -1559.979 where: short stacking energy: -670.100 Base-Backbone interact. energy: 3.729 local terms energy: -705.807683 where: bonds (distance) C4'-P energy: -128.696 bonds (distance) P-C4' energy: -138.611 flat angles C4'-P-C4' energy: -146.740 flat angles P-C4'-P energy: -111.328 tors. eta vs tors. theta energy: -180.432 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: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2079.876901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.876901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.876901 (E_RNA) where: Base-Base interactions energy: -1474.485 where: short stacking energy: -624.526 Base-Backbone interact. energy: -1.675 local terms energy: -603.716645 where: bonds (distance) C4'-P energy: -129.475 bonds (distance) P-C4' energy: -113.703 flat angles C4'-P-C4' energy: -132.033 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -151.802 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: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1930.289180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.289180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.289180 (E_RNA) where: Base-Base interactions energy: -1355.582 where: short stacking energy: -578.232 Base-Backbone interact. energy: -0.611 local terms energy: -574.095298 where: bonds (distance) C4'-P energy: -116.445 bonds (distance) P-C4' energy: -96.993 flat angles C4'-P-C4' energy: -145.574 flat angles P-C4'-P energy: -75.262 tors. eta vs tors. theta energy: -139.821 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: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1937.209708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.209708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.209708 (E_RNA) where: Base-Base interactions energy: -1341.213 where: short stacking energy: -585.534 Base-Backbone interact. energy: -0.663 local terms energy: -595.333302 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -106.076 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -105.693 tors. eta vs tors. theta energy: -145.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1652.601674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.601674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.601674 (E_RNA) where: Base-Base interactions energy: -1120.573 where: short stacking energy: -504.767 Base-Backbone interact. energy: 1.961 local terms energy: -533.990276 where: bonds (distance) C4'-P energy: -94.249 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -93.146 tors. eta vs tors. theta energy: -116.758 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: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1540.131806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.131806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.131806 (E_RNA) where: Base-Base interactions energy: -1033.971 where: short stacking energy: -446.826 Base-Backbone interact. energy: 4.101 local terms energy: -510.261475 where: bonds (distance) C4'-P energy: -113.639 bonds (distance) P-C4' energy: -119.256 flat angles C4'-P-C4' energy: -112.880 flat angles P-C4'-P energy: -71.210 tors. eta vs tors. theta energy: -93.276 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: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1166.893481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.893481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.893481 (E_RNA) where: Base-Base interactions energy: -776.145 where: short stacking energy: -346.869 Base-Backbone interact. energy: -1.179 local terms energy: -389.569393 where: bonds (distance) C4'-P energy: -106.098 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -95.799 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -32.041 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: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2539.961250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.961250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.961250 (E_RNA) where: Base-Base interactions energy: -1817.044 where: short stacking energy: -753.052 Base-Backbone interact. energy: -1.425 local terms energy: -721.492616 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -138.791 flat angles C4'-P-C4' energy: -146.231 flat angles P-C4'-P energy: -115.374 tors. eta vs tors. theta energy: -200.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2433.532613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.532613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.532613 (E_RNA) where: Base-Base interactions energy: -1698.973 where: short stacking energy: -730.885 Base-Backbone interact. energy: -2.113 local terms energy: -732.445889 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -143.392 flat angles C4'-P-C4' energy: -158.075 flat angles P-C4'-P energy: -107.178 tors. eta vs tors. theta energy: -198.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2378.051090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.051090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.051090 (E_RNA) where: Base-Base interactions energy: -1664.390 where: short stacking energy: -722.613 Base-Backbone interact. energy: -2.652 local terms energy: -711.009633 where: bonds (distance) C4'-P energy: -126.998 bonds (distance) P-C4' energy: -124.493 flat angles C4'-P-C4' energy: -154.232 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -210.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2264.723499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.723499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.723499 (E_RNA) where: Base-Base interactions energy: -1568.095 where: short stacking energy: -705.348 Base-Backbone interact. energy: -0.719 local terms energy: -695.910157 where: bonds (distance) C4'-P energy: -123.862 bonds (distance) P-C4' energy: -140.145 flat angles C4'-P-C4' energy: -149.162 flat angles P-C4'-P energy: -96.529 tors. eta vs tors. theta energy: -186.212 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: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2123.628495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.628495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.628495 (E_RNA) where: Base-Base interactions energy: -1475.736 where: short stacking energy: -632.511 Base-Backbone interact. energy: 3.089 local terms energy: -650.981152 where: bonds (distance) C4'-P energy: -128.479 bonds (distance) P-C4' energy: -126.255 flat angles C4'-P-C4' energy: -155.472 flat angles P-C4'-P energy: -85.912 tors. eta vs tors. theta energy: -154.863 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: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2003.754266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.754266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.754266 (E_RNA) where: Base-Base interactions energy: -1383.041 where: short stacking energy: -610.949 Base-Backbone interact. energy: -1.571 local terms energy: -619.142052 where: bonds (distance) C4'-P energy: -112.483 bonds (distance) P-C4' energy: -128.627 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -157.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1875.172779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.172779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.172779 (E_RNA) where: Base-Base interactions energy: -1278.136 where: short stacking energy: -551.641 Base-Backbone interact. energy: -2.346 local terms energy: -594.690740 where: bonds (distance) C4'-P energy: -115.367 bonds (distance) P-C4' energy: -107.612 flat angles C4'-P-C4' energy: -137.861 flat angles P-C4'-P energy: -96.890 tors. eta vs tors. theta energy: -136.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1627.620636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.620636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.620636 (E_RNA) where: Base-Base interactions energy: -1121.221 where: short stacking energy: -505.536 Base-Backbone interact. energy: 1.121 local terms energy: -507.521032 where: bonds (distance) C4'-P energy: -92.965 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -133.255 flat angles P-C4'-P energy: -84.385 tors. eta vs tors. theta energy: -103.210 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: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1490.494617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.494617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.494617 (E_RNA) where: Base-Base interactions energy: -1007.211 where: short stacking energy: -441.878 Base-Backbone interact. energy: 2.514 local terms energy: -485.797403 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -108.539 flat angles C4'-P-C4' energy: -102.435 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -89.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1200.164814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.164814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.164814 (E_RNA) where: Base-Base interactions energy: -739.625 where: short stacking energy: -356.767 Base-Backbone interact. energy: 0.591 local terms energy: -461.130941 where: bonds (distance) C4'-P energy: -104.754 bonds (distance) P-C4' energy: -114.728 flat angles C4'-P-C4' energy: -119.055 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -62.550 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: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2570.329384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.329384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.329384 (E_RNA) where: Base-Base interactions energy: -1817.830 where: short stacking energy: -754.826 Base-Backbone interact. energy: -0.647 local terms energy: -751.852248 where: bonds (distance) C4'-P energy: -135.200 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -162.445 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -206.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2453.260050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.260050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.260050 (E_RNA) where: Base-Base interactions energy: -1718.191 where: short stacking energy: -754.012 Base-Backbone interact. energy: -0.489 local terms energy: -734.580057 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -129.482 flat angles C4'-P-C4' energy: -155.098 flat angles P-C4'-P energy: -110.777 tors. eta vs tors. theta energy: -202.164 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: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2377.911410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.911410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.911410 (E_RNA) where: Base-Base interactions energy: -1642.625 where: short stacking energy: -717.465 Base-Backbone interact. energy: -2.780 local terms energy: -732.506855 where: bonds (distance) C4'-P energy: -150.508 bonds (distance) P-C4' energy: -139.399 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -74.816 tors. eta vs tors. theta energy: -212.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2229.369293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.369293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.369293 (E_RNA) where: Base-Base interactions energy: -1559.393 where: short stacking energy: -665.359 Base-Backbone interact. energy: -1.073 local terms energy: -668.902544 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -116.562 flat angles C4'-P-C4' energy: -141.570 flat angles P-C4'-P energy: -100.545 tors. eta vs tors. theta energy: -176.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2106.379277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.379277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.379277 (E_RNA) where: Base-Base interactions energy: -1461.070 where: short stacking energy: -637.586 Base-Backbone interact. energy: 2.281 local terms energy: -647.589540 where: bonds (distance) C4'-P energy: -119.264 bonds (distance) P-C4' energy: -130.530 flat angles C4'-P-C4' energy: -141.502 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -162.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1976.663113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.663113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.663113 (E_RNA) where: Base-Base interactions energy: -1347.398 where: short stacking energy: -593.829 Base-Backbone interact. energy: -3.767 local terms energy: -625.498714 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -126.309 flat angles C4'-P-C4' energy: -146.652 flat angles P-C4'-P energy: -95.140 tors. eta vs tors. theta energy: -152.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1892.837564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.837564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.837564 (E_RNA) where: Base-Base interactions energy: -1315.994 where: short stacking energy: -567.096 Base-Backbone interact. energy: 0.039 local terms energy: -576.882230 where: bonds (distance) C4'-P energy: -107.559 bonds (distance) P-C4' energy: -113.630 flat angles C4'-P-C4' energy: -127.595 flat angles P-C4'-P energy: -86.110 tors. eta vs tors. theta energy: -141.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1657.027320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.027320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.027320 (E_RNA) where: Base-Base interactions energy: -1115.182 where: short stacking energy: -503.988 Base-Backbone interact. energy: -2.818 local terms energy: -539.027618 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -124.902 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -87.184 tors. eta vs tors. theta energy: -108.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1511.341064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.341064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.341064 (E_RNA) where: Base-Base interactions energy: -1006.860 where: short stacking energy: -426.478 Base-Backbone interact. energy: -1.602 local terms energy: -502.879496 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -131.964 flat angles P-C4'-P energy: -79.023 tors. eta vs tors. theta energy: -65.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1129.880764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.880764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.880764 (E_RNA) where: Base-Base interactions energy: -716.319 where: short stacking energy: -331.526 Base-Backbone interact. energy: 0.529 local terms energy: -414.091287 where: bonds (distance) C4'-P energy: -95.333 bonds (distance) P-C4' energy: -93.769 flat angles C4'-P-C4' energy: -124.457 flat angles P-C4'-P energy: -67.552 tors. eta vs tors. theta energy: -32.980 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: 403 Temperature: 0.900000 Total energy: -2554.093627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.093627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.093627 (E_RNA) where: Base-Base interactions energy: -1846.959 where: short stacking energy: -731.680 Base-Backbone interact. energy: -3.616 local terms energy: -703.518431 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -94.768 tors. eta vs tors. theta energy: -200.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2459.723126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.723126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.723126 (E_RNA) where: Base-Base interactions energy: -1723.584 where: short stacking energy: -757.698 Base-Backbone interact. energy: -4.398 local terms energy: -731.741106 where: bonds (distance) C4'-P energy: -149.228 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -148.123 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -208.416 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2358.808472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.808472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.808472 (E_RNA) where: Base-Base interactions energy: -1615.103 where: short stacking energy: -727.792 Base-Backbone interact. energy: -2.961 local terms energy: -740.744364 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -140.464 flat angles C4'-P-C4' energy: -155.023 flat angles P-C4'-P energy: -103.353 tors. eta vs tors. theta energy: -211.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2272.365968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.365968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.365968 (E_RNA) where: Base-Base interactions energy: -1601.224 where: short stacking energy: -708.838 Base-Backbone interact. energy: -2.114 local terms energy: -669.027813 where: bonds (distance) C4'-P energy: -114.123 bonds (distance) P-C4' energy: -129.574 flat angles C4'-P-C4' energy: -148.611 flat angles P-C4'-P energy: -104.266 tors. eta vs tors. theta energy: -172.454 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: 403 Temperature: 1.100000 Total energy: -2060.019098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.019098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.019098 (E_RNA) where: Base-Base interactions energy: -1433.069 where: short stacking energy: -609.137 Base-Backbone interact. energy: 0.595 local terms energy: -627.544408 where: bonds (distance) C4'-P energy: -122.059 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -134.609 flat angles P-C4'-P energy: -85.507 tors. eta vs tors. theta energy: -168.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1991.905640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.905640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.905640 (E_RNA) where: Base-Base interactions energy: -1372.927 where: short stacking energy: -606.107 Base-Backbone interact. energy: 2.959 local terms energy: -621.937005 where: bonds (distance) C4'-P energy: -104.984 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -133.186 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -149.799 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: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1891.089062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.089062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.089062 (E_RNA) where: Base-Base interactions energy: -1285.018 where: short stacking energy: -529.682 Base-Backbone interact. energy: -2.281 local terms energy: -603.789912 where: bonds (distance) C4'-P energy: -121.313 bonds (distance) P-C4' energy: -120.897 flat angles C4'-P-C4' energy: -137.644 flat angles P-C4'-P energy: -90.409 tors. eta vs tors. theta energy: -133.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1645.998202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.998202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.998202 (E_RNA) where: Base-Base interactions energy: -1105.341 where: short stacking energy: -472.259 Base-Backbone interact. energy: -1.655 local terms energy: -539.002103 where: bonds (distance) C4'-P energy: -119.892 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -137.964 flat angles P-C4'-P energy: -59.676 tors. eta vs tors. theta energy: -109.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1525.788209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.788209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.788209 (E_RNA) where: Base-Base interactions energy: -1028.042 where: short stacking energy: -442.886 Base-Backbone interact. energy: 1.455 local terms energy: -499.201330 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -99.212 flat angles C4'-P-C4' energy: -123.217 flat angles P-C4'-P energy: -79.987 tors. eta vs tors. theta energy: -97.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1184.215934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.215934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.215934 (E_RNA) where: Base-Base interactions energy: -778.881 where: short stacking energy: -363.290 Base-Backbone interact. energy: 0.145 local terms energy: -405.480348 where: bonds (distance) C4'-P energy: -82.717 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -111.544 flat angles P-C4'-P energy: -54.199 tors. eta vs tors. theta energy: -53.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2534.639099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.639099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.639099 (E_RNA) where: Base-Base interactions energy: -1818.387 where: short stacking energy: -733.431 Base-Backbone interact. energy: 1.752 local terms energy: -718.004173 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -149.083 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -201.032 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: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2443.854080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.854080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.854080 (E_RNA) where: Base-Base interactions energy: -1722.761 where: short stacking energy: -736.762 Base-Backbone interact. energy: -1.863 local terms energy: -719.230387 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -98.226 tors. eta vs tors. theta energy: -220.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2336.313826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.313826 (E_RNA) where: Base-Base interactions energy: -1623.180 where: short stacking energy: -717.675 Base-Backbone interact. energy: -4.231 local terms energy: -708.902831 where: bonds (distance) C4'-P energy: -120.846 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -107.927 tors. eta vs tors. theta energy: -204.173 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: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2255.683317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.683317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.683317 (E_RNA) where: Base-Base interactions energy: -1594.952 where: short stacking energy: -682.701 Base-Backbone interact. energy: -1.997 local terms energy: -658.734571 where: bonds (distance) C4'-P energy: -124.041 bonds (distance) P-C4' energy: -131.229 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -87.900 tors. eta vs tors. theta energy: -183.933 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: 404 Temperature: 1.100000 Total energy: -2063.167958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.167958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.167958 (E_RNA) where: Base-Base interactions energy: -1461.716 where: short stacking energy: -604.776 Base-Backbone interact. energy: 0.156 local terms energy: -601.608373 where: bonds (distance) C4'-P energy: -120.255 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -135.302 flat angles P-C4'-P energy: -82.042 tors. eta vs tors. theta energy: -149.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1967.331224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.331224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.331224 (E_RNA) where: Base-Base interactions energy: -1353.187 where: short stacking energy: -590.942 Base-Backbone interact. energy: 0.392 local terms energy: -614.536204 where: bonds (distance) C4'-P energy: -131.776 bonds (distance) P-C4' energy: -114.461 flat angles C4'-P-C4' energy: -138.571 flat angles P-C4'-P energy: -76.518 tors. eta vs tors. theta energy: -153.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1915.209939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.209939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.209939 (E_RNA) where: Base-Base interactions energy: -1304.664 where: short stacking energy: -539.032 Base-Backbone interact. energy: -1.524 local terms energy: -609.022325 where: bonds (distance) C4'-P energy: -123.561 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -138.974 flat angles P-C4'-P energy: -77.340 tors. eta vs tors. theta energy: -145.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1678.073381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.073381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.073381 (E_RNA) where: Base-Base interactions energy: -1115.932 where: short stacking energy: -479.224 Base-Backbone interact. energy: -0.352 local terms energy: -561.788956 where: bonds (distance) C4'-P energy: -128.351 bonds (distance) P-C4' energy: -118.349 flat angles C4'-P-C4' energy: -133.927 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -100.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1618.814273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.814273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.814273 (E_RNA) where: Base-Base interactions energy: -1121.404 where: short stacking energy: -468.814 Base-Backbone interact. energy: 4.893 local terms energy: -502.303163 where: bonds (distance) C4'-P energy: -92.915 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -63.309 tors. eta vs tors. theta energy: -106.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1160.956295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.956295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.956295 (E_RNA) where: Base-Base interactions energy: -724.094 where: short stacking energy: -357.808 Base-Backbone interact. energy: -4.212 local terms energy: -432.650061 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -110.294 flat angles C4'-P-C4' energy: -107.798 flat angles P-C4'-P energy: -79.656 tors. eta vs tors. theta energy: -37.609 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: 405 Temperature: 0.900000 Total energy: -2529.848291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.848291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.848291 (E_RNA) where: Base-Base interactions energy: -1818.131 where: short stacking energy: -747.012 Base-Backbone interact. energy: 2.512 local terms energy: -714.229159 where: bonds (distance) C4'-P energy: -139.103 bonds (distance) P-C4' energy: -130.403 flat angles C4'-P-C4' energy: -144.916 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -198.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2477.877472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.877472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.877472 (E_RNA) where: Base-Base interactions energy: -1742.377 where: short stacking energy: -758.558 Base-Backbone interact. energy: -1.476 local terms energy: -734.024286 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -131.087 flat angles C4'-P-C4' energy: -164.317 flat angles P-C4'-P energy: -109.525 tors. eta vs tors. theta energy: -204.448 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: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2364.086567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.086567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.086567 (E_RNA) where: Base-Base interactions energy: -1654.724 where: short stacking energy: -726.924 Base-Backbone interact. energy: -2.093 local terms energy: -707.270034 where: bonds (distance) C4'-P energy: -128.127 bonds (distance) P-C4' energy: -119.722 flat angles C4'-P-C4' energy: -140.406 flat angles P-C4'-P energy: -110.557 tors. eta vs tors. theta energy: -208.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2260.225128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.225128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.225128 (E_RNA) where: Base-Base interactions energy: -1571.164 where: short stacking energy: -667.961 Base-Backbone interact. energy: -3.368 local terms energy: -685.693007 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -140.323 flat angles C4'-P-C4' energy: -147.710 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -182.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2092.856946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.856946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.856946 (E_RNA) where: Base-Base interactions energy: -1473.945 where: short stacking energy: -602.499 Base-Backbone interact. energy: 1.452 local terms energy: -620.364274 where: bonds (distance) C4'-P energy: -99.075 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -86.433 tors. eta vs tors. theta energy: -172.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1947.258166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.258166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.258166 (E_RNA) where: Base-Base interactions energy: -1353.366 where: short stacking energy: -578.743 Base-Backbone interact. energy: -2.872 local terms energy: -591.020083 where: bonds (distance) C4'-P energy: -113.051 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -132.625 flat angles P-C4'-P energy: -80.378 tors. eta vs tors. theta energy: -146.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1929.204386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.204386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.204386 (E_RNA) where: Base-Base interactions energy: -1331.071 where: short stacking energy: -581.627 Base-Backbone interact. energy: -0.617 local terms energy: -597.516556 where: bonds (distance) C4'-P energy: -109.144 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -129.697 flat angles P-C4'-P energy: -84.299 tors. eta vs tors. theta energy: -154.174 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: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1686.949649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.949649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.949649 (E_RNA) where: Base-Base interactions energy: -1119.789 where: short stacking energy: -510.303 Base-Backbone interact. energy: 1.746 local terms energy: -568.906808 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -132.080 flat angles C4'-P-C4' energy: -135.578 flat angles P-C4'-P energy: -64.685 tors. eta vs tors. theta energy: -112.609 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: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1570.630197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.630197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.630197 (E_RNA) where: Base-Base interactions energy: -1085.725 where: short stacking energy: -462.820 Base-Backbone interact. energy: 5.679 local terms energy: -490.583870 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -123.263 flat angles C4'-P-C4' energy: -101.823 flat angles P-C4'-P energy: -72.372 tors. eta vs tors. theta energy: -94.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1176.700201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.700201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.700201 (E_RNA) where: Base-Base interactions energy: -716.955 where: short stacking energy: -328.767 Base-Backbone interact. energy: 5.669 local terms energy: -465.413352 where: bonds (distance) C4'-P energy: -117.185 bonds (distance) P-C4' energy: -115.374 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -71.423 tors. eta vs tors. theta energy: -48.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2558.413731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.413731 (E_RNA) where: Base-Base interactions energy: -1813.515 where: short stacking energy: -736.386 Base-Backbone interact. energy: -2.491 local terms energy: -742.408036 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -148.648 flat angles C4'-P-C4' energy: -163.752 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -196.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2450.517807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.517807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.517807 (E_RNA) where: Base-Base interactions energy: -1715.687 where: short stacking energy: -749.661 Base-Backbone interact. energy: 0.346 local terms energy: -735.175962 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -158.263 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -210.736 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: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2348.326045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.326045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.326045 (E_RNA) where: Base-Base interactions energy: -1616.571 where: short stacking energy: -721.813 Base-Backbone interact. energy: -0.660 local terms energy: -731.094518 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -148.746 flat angles C4'-P-C4' energy: -153.213 flat angles P-C4'-P energy: -93.906 tors. eta vs tors. theta energy: -203.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2267.955209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.955209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.955209 (E_RNA) where: Base-Base interactions energy: -1595.541 where: short stacking energy: -681.432 Base-Backbone interact. energy: -0.566 local terms energy: -671.848033 where: bonds (distance) C4'-P energy: -122.764 bonds (distance) P-C4' energy: -143.073 flat angles C4'-P-C4' energy: -136.980 flat angles P-C4'-P energy: -89.027 tors. eta vs tors. theta energy: -180.004 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: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2121.281022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.281022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.281022 (E_RNA) where: Base-Base interactions energy: -1477.712 where: short stacking energy: -624.863 Base-Backbone interact. energy: -2.533 local terms energy: -641.035791 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -139.210 flat angles C4'-P-C4' energy: -141.095 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -175.827 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: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1996.801968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.801968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.801968 (E_RNA) where: Base-Base interactions energy: -1402.865 where: short stacking energy: -597.456 Base-Backbone interact. energy: 5.552 local terms energy: -599.489672 where: bonds (distance) C4'-P energy: -97.725 bonds (distance) P-C4' energy: -124.021 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -86.940 tors. eta vs tors. theta energy: -159.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1946.599149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.599149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.599149 (E_RNA) where: Base-Base interactions energy: -1372.400 where: short stacking energy: -567.053 Base-Backbone interact. energy: 3.532 local terms energy: -577.730570 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -119.662 flat angles C4'-P-C4' energy: -125.439 flat angles P-C4'-P energy: -94.086 tors. eta vs tors. theta energy: -147.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1688.293128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.293128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.293128 (E_RNA) where: Base-Base interactions energy: -1155.320 where: short stacking energy: -471.802 Base-Backbone interact. energy: -3.068 local terms energy: -529.905279 where: bonds (distance) C4'-P energy: -127.357 bonds (distance) P-C4' energy: -109.837 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -106.800 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: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1542.408954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.408954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.408954 (E_RNA) where: Base-Base interactions energy: -1012.123 where: short stacking energy: -447.981 Base-Backbone interact. energy: -2.951 local terms energy: -527.334467 where: bonds (distance) C4'-P energy: -106.047 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -119.930 flat angles P-C4'-P energy: -80.909 tors. eta vs tors. theta energy: -91.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1162.619626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.619626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.619626 (E_RNA) where: Base-Base interactions energy: -730.942 where: short stacking energy: -331.089 Base-Backbone interact. energy: 2.592 local terms energy: -434.269473 where: bonds (distance) C4'-P energy: -110.152 bonds (distance) P-C4' energy: -126.633 flat angles C4'-P-C4' energy: -92.709 flat angles P-C4'-P energy: -54.416 tors. eta vs tors. theta energy: -50.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2534.236350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.236350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.236350 (E_RNA) where: Base-Base interactions energy: -1816.124 where: short stacking energy: -712.199 Base-Backbone interact. energy: -3.617 local terms energy: -714.495160 where: bonds (distance) C4'-P energy: -126.513 bonds (distance) P-C4' energy: -143.139 flat angles C4'-P-C4' energy: -153.485 flat angles P-C4'-P energy: -90.810 tors. eta vs tors. theta energy: -200.548 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: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2444.181675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.181675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.181675 (E_RNA) where: Base-Base interactions energy: -1712.047 where: short stacking energy: -754.664 Base-Backbone interact. energy: -5.399 local terms energy: -726.735511 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -157.876 flat angles P-C4'-P energy: -104.208 tors. eta vs tors. theta energy: -204.357 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: 407 Temperature: 1.000000 Total energy: -2353.019552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.019552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.019552 (E_RNA) where: Base-Base interactions energy: -1646.293 where: short stacking energy: -717.976 Base-Backbone interact. energy: -1.490 local terms energy: -705.236477 where: bonds (distance) C4'-P energy: -127.292 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -154.257 flat angles P-C4'-P energy: -101.443 tors. eta vs tors. theta energy: -202.736 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: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2274.655463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.655463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.655463 (E_RNA) where: Base-Base interactions energy: -1598.975 where: short stacking energy: -675.275 Base-Backbone interact. energy: 1.912 local terms energy: -677.592596 where: bonds (distance) C4'-P energy: -128.247 bonds (distance) P-C4' energy: -131.853 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -189.214 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: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2055.574119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.574119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.574119 (E_RNA) where: Base-Base interactions energy: -1427.620 where: short stacking energy: -640.318 Base-Backbone interact. energy: -0.889 local terms energy: -627.065159 where: bonds (distance) C4'-P energy: -112.047 bonds (distance) P-C4' energy: -131.756 flat angles C4'-P-C4' energy: -134.398 flat angles P-C4'-P energy: -81.148 tors. eta vs tors. theta energy: -167.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1983.760661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.760661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.760661 (E_RNA) where: Base-Base interactions energy: -1383.522 where: short stacking energy: -611.625 Base-Backbone interact. energy: -1.148 local terms energy: -599.090800 where: bonds (distance) C4'-P energy: -108.140 bonds (distance) P-C4' energy: -117.611 flat angles C4'-P-C4' energy: -135.086 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -160.043 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: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1887.807729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.807729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.807729 (E_RNA) where: Base-Base interactions energy: -1304.504 where: short stacking energy: -580.726 Base-Backbone interact. energy: -1.613 local terms energy: -581.690810 where: bonds (distance) C4'-P energy: -91.481 bonds (distance) P-C4' energy: -123.770 flat angles C4'-P-C4' energy: -133.280 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -133.795 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: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1691.192239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.192239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.192239 (E_RNA) where: Base-Base interactions energy: -1164.887 where: short stacking energy: -520.023 Base-Backbone interact. energy: -1.959 local terms energy: -524.345644 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -119.357 flat angles C4'-P-C4' energy: -115.875 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -113.221 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: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1527.308987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.308987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.308987 (E_RNA) where: Base-Base interactions energy: -1036.464 where: short stacking energy: -424.394 Base-Backbone interact. energy: 2.445 local terms energy: -493.289287 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -82.125 tors. eta vs tors. theta energy: -72.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1175.016354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.016354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.016354 (E_RNA) where: Base-Base interactions energy: -717.726 where: short stacking energy: -327.057 Base-Backbone interact. energy: -1.856 local terms energy: -455.435058 where: bonds (distance) C4'-P energy: -131.491 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -112.007 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -39.807 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: 408 Temperature: 0.900000 Total energy: -2555.082487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.082487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.082487 (E_RNA) where: Base-Base interactions energy: -1830.494 where: short stacking energy: -750.813 Base-Backbone interact. energy: -4.221 local terms energy: -720.367339 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -134.266 flat angles C4'-P-C4' energy: -161.550 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -192.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2466.059184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.059184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.059184 (E_RNA) where: Base-Base interactions energy: -1719.736 where: short stacking energy: -770.749 Base-Backbone interact. energy: -1.553 local terms energy: -744.770222 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -125.995 flat angles C4'-P-C4' energy: -156.572 flat angles P-C4'-P energy: -111.400 tors. eta vs tors. theta energy: -207.717 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: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2327.285208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.285208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.285208 (E_RNA) where: Base-Base interactions energy: -1652.552 where: short stacking energy: -688.553 Base-Backbone interact. energy: 2.795 local terms energy: -677.831970 where: bonds (distance) C4'-P energy: -119.861 bonds (distance) P-C4' energy: -134.681 flat angles C4'-P-C4' energy: -138.723 flat angles P-C4'-P energy: -93.793 tors. eta vs tors. theta energy: -190.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.304 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2258.812680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.812680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.812680 (E_RNA) where: Base-Base interactions energy: -1588.485 where: short stacking energy: -650.614 Base-Backbone interact. energy: -3.628 local terms energy: -666.700019 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -137.819 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -183.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2094.246575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.246575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.246575 (E_RNA) where: Base-Base interactions energy: -1461.450 where: short stacking energy: -597.671 Base-Backbone interact. energy: -2.166 local terms energy: -630.630340 where: bonds (distance) C4'-P energy: -122.460 bonds (distance) P-C4' energy: -139.173 flat angles C4'-P-C4' energy: -134.575 flat angles P-C4'-P energy: -89.129 tors. eta vs tors. theta energy: -145.294 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: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2013.329494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.329494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.329494 (E_RNA) where: Base-Base interactions energy: -1365.863 where: short stacking energy: -614.595 Base-Backbone interact. energy: -2.404 local terms energy: -645.061805 where: bonds (distance) C4'-P energy: -131.725 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -143.608 flat angles P-C4'-P energy: -84.105 tors. eta vs tors. theta energy: -171.232 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: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1919.005465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.005465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.005465 (E_RNA) where: Base-Base interactions energy: -1323.039 where: short stacking energy: -565.822 Base-Backbone interact. energy: -3.096 local terms energy: -592.870639 where: bonds (distance) C4'-P energy: -105.142 bonds (distance) P-C4' energy: -130.944 flat angles C4'-P-C4' energy: -119.712 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -153.571 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: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1686.013084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.013084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.013084 (E_RNA) where: Base-Base interactions energy: -1171.851 where: short stacking energy: -497.446 Base-Backbone interact. energy: 0.884 local terms energy: -515.046948 where: bonds (distance) C4'-P energy: -86.207 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -135.157 flat angles P-C4'-P energy: -82.064 tors. eta vs tors. theta energy: -104.845 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: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1464.124132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.124132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.124132 (E_RNA) where: Base-Base interactions energy: -974.600 where: short stacking energy: -404.449 Base-Backbone interact. energy: -2.677 local terms energy: -486.846890 where: bonds (distance) C4'-P energy: -118.729 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -116.146 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -83.163 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: 408 Temperature: 1.350000 Total energy: -1149.067491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.067491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.067491 (E_RNA) where: Base-Base interactions energy: -740.629 where: short stacking energy: -364.904 Base-Backbone interact. energy: -2.302 local terms energy: -406.136717 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -110.601 flat angles C4'-P-C4' energy: -101.172 flat angles P-C4'-P energy: -55.417 tors. eta vs tors. theta energy: -36.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2544.113007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.113007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.113007 (E_RNA) where: Base-Base interactions energy: -1787.577 where: short stacking energy: -720.015 Base-Backbone interact. energy: -2.192 local terms energy: -754.343975 where: bonds (distance) C4'-P energy: -140.015 bonds (distance) P-C4' energy: -150.553 flat angles C4'-P-C4' energy: -155.080 flat angles P-C4'-P energy: -109.097 tors. eta vs tors. theta energy: -199.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2453.954045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.954045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.954045 (E_RNA) where: Base-Base interactions energy: -1713.530 where: short stacking energy: -741.160 Base-Backbone interact. energy: -3.585 local terms energy: -736.839595 where: bonds (distance) C4'-P energy: -135.291 bonds (distance) P-C4' energy: -129.845 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -112.274 tors. eta vs tors. theta energy: -208.797 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: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2322.840070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.840070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.840070 (E_RNA) where: Base-Base interactions energy: -1614.412 where: short stacking energy: -705.343 Base-Backbone interact. energy: -4.874 local terms energy: -703.553742 where: bonds (distance) C4'-P energy: -110.045 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -152.802 flat angles P-C4'-P energy: -92.512 tors. eta vs tors. theta energy: -209.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2245.966163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.966163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.966163 (E_RNA) where: Base-Base interactions energy: -1601.322 where: short stacking energy: -685.879 Base-Backbone interact. energy: 0.812 local terms energy: -645.456184 where: bonds (distance) C4'-P energy: -112.795 bonds (distance) P-C4' energy: -123.901 flat angles C4'-P-C4' energy: -145.986 flat angles P-C4'-P energy: -84.775 tors. eta vs tors. theta energy: -178.000 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: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2112.904351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.904351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.904351 (E_RNA) where: Base-Base interactions energy: -1473.332 where: short stacking energy: -607.378 Base-Backbone interact. energy: -3.761 local terms energy: -635.811490 where: bonds (distance) C4'-P energy: -107.013 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -147.670 flat angles P-C4'-P energy: -88.889 tors. eta vs tors. theta energy: -166.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1958.419191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.419191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.419191 (E_RNA) where: Base-Base interactions energy: -1349.717 where: short stacking energy: -608.456 Base-Backbone interact. energy: -0.142 local terms energy: -608.559861 where: bonds (distance) C4'-P energy: -116.825 bonds (distance) P-C4' energy: -122.257 flat angles C4'-P-C4' energy: -138.721 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -147.459 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: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1972.104161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.104161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.104161 (E_RNA) where: Base-Base interactions energy: -1370.277 where: short stacking energy: -592.057 Base-Backbone interact. energy: -3.721 local terms energy: -598.106330 where: bonds (distance) C4'-P energy: -101.947 bonds (distance) P-C4' energy: -131.188 flat angles C4'-P-C4' energy: -134.725 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -159.201 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: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1695.857012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.857012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.857012 (E_RNA) where: Base-Base interactions energy: -1159.780 where: short stacking energy: -509.663 Base-Backbone interact. energy: 1.790 local terms energy: -537.866399 where: bonds (distance) C4'-P energy: -106.723 bonds (distance) P-C4' energy: -109.923 flat angles C4'-P-C4' energy: -125.815 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: -123.977 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: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1472.442900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.442900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.442900 (E_RNA) where: Base-Base interactions energy: -990.945 where: short stacking energy: -458.645 Base-Backbone interact. energy: 4.199 local terms energy: -485.697343 where: bonds (distance) C4'-P energy: -90.103 bonds (distance) P-C4' energy: -115.770 flat angles C4'-P-C4' energy: -104.426 flat angles P-C4'-P energy: -78.012 tors. eta vs tors. theta energy: -97.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1178.101502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.101502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.101502 (E_RNA) where: Base-Base interactions energy: -708.994 where: short stacking energy: -349.078 Base-Backbone interact. energy: -0.177 local terms energy: -468.930618 where: bonds (distance) C4'-P energy: -90.346 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -78.149 tors. eta vs tors. theta energy: -62.945 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: 410 Temperature: 0.900000 Total energy: -2559.451790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.451790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.451790 (E_RNA) where: Base-Base interactions energy: -1810.445 where: short stacking energy: -742.732 Base-Backbone interact. energy: -0.955 local terms energy: -748.051819 where: bonds (distance) C4'-P energy: -136.298 bonds (distance) P-C4' energy: -153.515 flat angles C4'-P-C4' energy: -160.329 flat angles P-C4'-P energy: -90.124 tors. eta vs tors. theta energy: -207.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2443.274133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.274133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.274133 (E_RNA) where: Base-Base interactions energy: -1703.861 where: short stacking energy: -741.130 Base-Backbone interact. energy: 0.395 local terms energy: -739.807977 where: bonds (distance) C4'-P energy: -132.098 bonds (distance) P-C4' energy: -149.372 flat angles C4'-P-C4' energy: -151.290 flat angles P-C4'-P energy: -105.313 tors. eta vs tors. theta energy: -201.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2339.238453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.238453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.238453 (E_RNA) where: Base-Base interactions energy: -1635.179 where: short stacking energy: -718.383 Base-Backbone interact. energy: 0.431 local terms energy: -704.562021 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -137.245 flat angles P-C4'-P energy: -104.824 tors. eta vs tors. theta energy: -192.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2290.045289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.045289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.045289 (E_RNA) where: Base-Base interactions energy: -1609.352 where: short stacking energy: -693.633 Base-Backbone interact. energy: -2.317 local terms energy: -678.376123 where: bonds (distance) C4'-P energy: -122.705 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -150.881 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -171.290 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: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2106.363044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.363044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.363044 (E_RNA) where: Base-Base interactions energy: -1469.829 where: short stacking energy: -634.696 Base-Backbone interact. energy: -1.031 local terms energy: -635.502910 where: bonds (distance) C4'-P energy: -130.755 bonds (distance) P-C4' energy: -124.324 flat angles C4'-P-C4' energy: -133.559 flat angles P-C4'-P energy: -85.339 tors. eta vs tors. theta energy: -161.525 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: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1978.654075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.654075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.654075 (E_RNA) where: Base-Base interactions energy: -1349.779 where: short stacking energy: -592.131 Base-Backbone interact. energy: -0.065 local terms energy: -628.810630 where: bonds (distance) C4'-P energy: -103.278 bonds (distance) P-C4' energy: -125.834 flat angles C4'-P-C4' energy: -136.365 flat angles P-C4'-P energy: -100.853 tors. eta vs tors. theta energy: -162.481 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: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1926.240197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.240197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.240197 (E_RNA) where: Base-Base interactions energy: -1328.989 where: short stacking energy: -564.400 Base-Backbone interact. energy: -0.133 local terms energy: -597.118573 where: bonds (distance) C4'-P energy: -107.180 bonds (distance) P-C4' energy: -131.756 flat angles C4'-P-C4' energy: -122.478 flat angles P-C4'-P energy: -90.693 tors. eta vs tors. theta energy: -145.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1673.823695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.823695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.823695 (E_RNA) where: Base-Base interactions energy: -1158.929 where: short stacking energy: -523.979 Base-Backbone interact. energy: 3.758 local terms energy: -518.652481 where: bonds (distance) C4'-P energy: -109.019 bonds (distance) P-C4' energy: -127.409 flat angles C4'-P-C4' energy: -98.409 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -127.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1500.051666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.051666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.051666 (E_RNA) where: Base-Base interactions energy: -1024.738 where: short stacking energy: -434.548 Base-Backbone interact. energy: -1.038 local terms energy: -474.275864 where: bonds (distance) C4'-P energy: -99.376 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -106.141 flat angles P-C4'-P energy: -71.168 tors. eta vs tors. theta energy: -90.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1195.429228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.429228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.429228 (E_RNA) where: Base-Base interactions energy: -756.974 where: short stacking energy: -348.166 Base-Backbone interact. energy: 4.266 local terms energy: -442.721494 where: bonds (distance) C4'-P energy: -93.139 bonds (distance) P-C4' energy: -129.200 flat angles C4'-P-C4' energy: -116.592 flat angles P-C4'-P energy: -55.296 tors. eta vs tors. theta energy: -48.495 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: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2557.532465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.532465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.532465 (E_RNA) where: Base-Base interactions energy: -1848.961 where: short stacking energy: -735.757 Base-Backbone interact. energy: -4.567 local terms energy: -704.004093 where: bonds (distance) C4'-P energy: -131.343 bonds (distance) P-C4' energy: -131.436 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -192.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2396.831414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.831414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.831414 (E_RNA) where: Base-Base interactions energy: -1659.769 where: short stacking energy: -739.083 Base-Backbone interact. energy: 0.082 local terms energy: -737.144645 where: bonds (distance) C4'-P energy: -136.068 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -157.128 flat angles P-C4'-P energy: -101.779 tors. eta vs tors. theta energy: -206.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2351.382081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.382081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.382081 (E_RNA) where: Base-Base interactions energy: -1622.473 where: short stacking energy: -695.564 Base-Backbone interact. energy: -2.948 local terms energy: -730.316699 where: bonds (distance) C4'-P energy: -147.848 bonds (distance) P-C4' energy: -120.911 flat angles C4'-P-C4' energy: -153.740 flat angles P-C4'-P energy: -102.776 tors. eta vs tors. theta energy: -205.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.355 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2299.686585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.686585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.686585 (E_RNA) where: Base-Base interactions energy: -1629.157 where: short stacking energy: -690.346 Base-Backbone interact. energy: 0.638 local terms energy: -671.167488 where: bonds (distance) C4'-P energy: -125.475 bonds (distance) P-C4' energy: -118.171 flat angles C4'-P-C4' energy: -130.790 flat angles P-C4'-P energy: -104.145 tors. eta vs tors. theta energy: -192.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2102.091184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.091184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.091184 (E_RNA) where: Base-Base interactions energy: -1475.930 where: short stacking energy: -630.561 Base-Backbone interact. energy: 1.374 local terms energy: -627.534756 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -120.610 flat angles C4'-P-C4' energy: -137.540 flat angles P-C4'-P energy: -97.938 tors. eta vs tors. theta energy: -162.197 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: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1968.391619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.391619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.391619 (E_RNA) where: Base-Base interactions energy: -1352.323 where: short stacking energy: -596.872 Base-Backbone interact. energy: 1.684 local terms energy: -617.752021 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -122.609 flat angles C4'-P-C4' energy: -147.969 flat angles P-C4'-P energy: -84.923 tors. eta vs tors. theta energy: -149.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1923.192595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.192595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.192595 (E_RNA) where: Base-Base interactions energy: -1344.923 where: short stacking energy: -563.848 Base-Backbone interact. energy: 2.814 local terms energy: -581.083088 where: bonds (distance) C4'-P energy: -96.105 bonds (distance) P-C4' energy: -114.148 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -135.006 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: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1707.999496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.999496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.999496 (E_RNA) where: Base-Base interactions energy: -1156.809 where: short stacking energy: -504.748 Base-Backbone interact. energy: 7.477 local terms energy: -558.667055 where: bonds (distance) C4'-P energy: -118.811 bonds (distance) P-C4' energy: -109.036 flat angles C4'-P-C4' energy: -133.510 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -106.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1458.545665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.545665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.545665 (E_RNA) where: Base-Base interactions energy: -973.298 where: short stacking energy: -412.880 Base-Backbone interact. energy: -2.257 local terms energy: -482.990005 where: bonds (distance) C4'-P energy: -98.562 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -122.854 flat angles P-C4'-P energy: -75.638 tors. eta vs tors. theta energy: -68.519 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: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1223.505884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.505884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.505884 (E_RNA) where: Base-Base interactions energy: -796.781 where: short stacking energy: -338.428 Base-Backbone interact. energy: 0.788 local terms energy: -427.512841 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -122.343 flat angles C4'-P-C4' energy: -109.976 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: -32.257 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: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2543.297435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.297435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.297435 (E_RNA) where: Base-Base interactions energy: -1808.756 where: short stacking energy: -742.267 Base-Backbone interact. energy: -3.901 local terms energy: -730.640859 where: bonds (distance) C4'-P energy: -132.163 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -153.098 flat angles P-C4'-P energy: -90.526 tors. eta vs tors. theta energy: -209.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2415.654069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.654069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.654069 (E_RNA) where: Base-Base interactions energy: -1672.391 where: short stacking energy: -736.248 Base-Backbone interact. energy: -3.140 local terms energy: -740.123341 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -140.567 flat angles C4'-P-C4' energy: -145.700 flat angles P-C4'-P energy: -105.149 tors. eta vs tors. theta energy: -213.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2320.958031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.958031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.958031 (E_RNA) where: Base-Base interactions energy: -1612.189 where: short stacking energy: -723.985 Base-Backbone interact. energy: -2.663 local terms energy: -706.105577 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -136.957 flat angles C4'-P-C4' energy: -154.917 flat angles P-C4'-P energy: -85.352 tors. eta vs tors. theta energy: -196.387 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: 412 Temperature: 1.050000 Total energy: -2283.752176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.752176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.752176 (E_RNA) where: Base-Base interactions energy: -1584.324 where: short stacking energy: -665.850 Base-Backbone interact. energy: -2.263 local terms energy: -697.164827 where: bonds (distance) C4'-P energy: -124.850 bonds (distance) P-C4' energy: -125.234 flat angles C4'-P-C4' energy: -150.377 flat angles P-C4'-P energy: -105.760 tors. eta vs tors. theta energy: -190.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2127.312802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.312802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.312802 (E_RNA) where: Base-Base interactions energy: -1493.501 where: short stacking energy: -639.110 Base-Backbone interact. energy: -3.855 local terms energy: -629.957078 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -142.852 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -168.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1986.393028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.393028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.393028 (E_RNA) where: Base-Base interactions energy: -1371.702 where: short stacking energy: -576.958 Base-Backbone interact. energy: 0.945 local terms energy: -615.636456 where: bonds (distance) C4'-P energy: -108.659 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -142.833 flat angles P-C4'-P energy: -98.077 tors. eta vs tors. theta energy: -141.420 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: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1977.208065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.208065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.208065 (E_RNA) where: Base-Base interactions energy: -1401.592 where: short stacking energy: -591.841 Base-Backbone interact. energy: -0.367 local terms energy: -575.248969 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -104.672 flat angles C4'-P-C4' energy: -127.615 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -152.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1734.289629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.289629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.289629 (E_RNA) where: Base-Base interactions energy: -1199.366 where: short stacking energy: -521.304 Base-Backbone interact. energy: 6.361 local terms energy: -541.285375 where: bonds (distance) C4'-P energy: -100.031 bonds (distance) P-C4' energy: -111.887 flat angles C4'-P-C4' energy: -123.601 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -120.713 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: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1408.714038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.714038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.714038 (E_RNA) where: Base-Base interactions energy: -920.581 where: short stacking energy: -423.648 Base-Backbone interact. energy: -4.426 local terms energy: -483.707666 where: bonds (distance) C4'-P energy: -98.968 bonds (distance) P-C4' energy: -122.204 flat angles C4'-P-C4' energy: -131.766 flat angles P-C4'-P energy: -51.957 tors. eta vs tors. theta energy: -78.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1192.190256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.190256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.190256 (E_RNA) where: Base-Base interactions energy: -764.211 where: short stacking energy: -349.931 Base-Backbone interact. energy: 1.944 local terms energy: -429.923082 where: bonds (distance) C4'-P energy: -95.736 bonds (distance) P-C4' energy: -101.147 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -65.049 tors. eta vs tors. theta energy: -52.849 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2550.350373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.350373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.350373 (E_RNA) where: Base-Base interactions energy: -1821.265 where: short stacking energy: -739.485 Base-Backbone interact. energy: -2.270 local terms energy: -726.814805 where: bonds (distance) C4'-P energy: -142.174 bonds (distance) P-C4' energy: -145.962 flat angles C4'-P-C4' energy: -152.601 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -211.976 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: 413 Temperature: 0.950000 Total energy: -2413.189463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.189463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.189463 (E_RNA) where: Base-Base interactions energy: -1675.967 where: short stacking energy: -740.330 Base-Backbone interact. energy: -2.952 local terms energy: -734.270507 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -120.610 flat angles C4'-P-C4' energy: -158.723 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -209.037 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: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2354.382156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.382156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.382156 (E_RNA) where: Base-Base interactions energy: -1648.462 where: short stacking energy: -719.480 Base-Backbone interact. energy: -2.378 local terms energy: -703.542398 where: bonds (distance) C4'-P energy: -129.397 bonds (distance) P-C4' energy: -126.258 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -192.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2258.954543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.954543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.954543 (E_RNA) where: Base-Base interactions energy: -1587.659 where: short stacking energy: -682.311 Base-Backbone interact. energy: -1.608 local terms energy: -669.688026 where: bonds (distance) C4'-P energy: -115.411 bonds (distance) P-C4' energy: -123.959 flat angles C4'-P-C4' energy: -152.648 flat angles P-C4'-P energy: -97.127 tors. eta vs tors. theta energy: -180.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2124.117320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.117320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.117320 (E_RNA) where: Base-Base interactions energy: -1465.794 where: short stacking energy: -645.261 Base-Backbone interact. energy: -3.975 local terms energy: -654.349066 where: bonds (distance) C4'-P energy: -121.306 bonds (distance) P-C4' energy: -124.555 flat angles C4'-P-C4' energy: -148.904 flat angles P-C4'-P energy: -89.613 tors. eta vs tors. theta energy: -169.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2063.965058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.965058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.965058 (E_RNA) where: Base-Base interactions energy: -1444.676 where: short stacking energy: -620.242 Base-Backbone interact. energy: 2.192 local terms energy: -621.480933 where: bonds (distance) C4'-P energy: -123.322 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -118.341 flat angles P-C4'-P energy: -89.122 tors. eta vs tors. theta energy: -163.022 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: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1950.608063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.608063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.608063 (E_RNA) where: Base-Base interactions energy: -1364.536 where: short stacking energy: -574.324 Base-Backbone interact. energy: -0.329 local terms energy: -585.743392 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -71.908 tors. eta vs tors. theta energy: -152.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1762.712252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.712252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.712252 (E_RNA) where: Base-Base interactions energy: -1188.047 where: short stacking energy: -515.010 Base-Backbone interact. energy: -2.081 local terms energy: -572.584921 where: bonds (distance) C4'-P energy: -113.928 bonds (distance) P-C4' energy: -136.828 flat angles C4'-P-C4' energy: -132.243 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -111.349 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: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1432.439807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.439807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.439807 (E_RNA) where: Base-Base interactions energy: -970.592 where: short stacking energy: -400.602 Base-Backbone interact. energy: -0.691 local terms energy: -461.156363 where: bonds (distance) C4'-P energy: -116.953 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -112.568 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -62.552 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: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1156.316112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.316112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.316112 (E_RNA) where: Base-Base interactions energy: -721.370 where: short stacking energy: -332.042 Base-Backbone interact. energy: -0.278 local terms energy: -434.667656 where: bonds (distance) C4'-P energy: -106.004 bonds (distance) P-C4' energy: -107.696 flat angles C4'-P-C4' energy: -105.037 flat angles P-C4'-P energy: -64.457 tors. eta vs tors. theta energy: -51.474 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: 414 Temperature: 0.900000 Total energy: -2570.473039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.473039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.473039 (E_RNA) where: Base-Base interactions energy: -1807.791 where: short stacking energy: -747.756 Base-Backbone interact. energy: -2.691 local terms energy: -759.991075 where: bonds (distance) C4'-P energy: -136.112 bonds (distance) P-C4' energy: -150.513 flat angles C4'-P-C4' energy: -164.572 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -208.434 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: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2440.295510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.295510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.295510 (E_RNA) where: Base-Base interactions energy: -1706.202 where: short stacking energy: -758.740 Base-Backbone interact. energy: -1.409 local terms energy: -732.684466 where: bonds (distance) C4'-P energy: -135.591 bonds (distance) P-C4' energy: -135.223 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -211.579 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: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2322.046802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.046802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.046802 (E_RNA) where: Base-Base interactions energy: -1620.643 where: short stacking energy: -710.213 Base-Backbone interact. energy: -2.774 local terms energy: -698.629674 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -130.435 flat angles C4'-P-C4' energy: -154.087 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -194.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2304.612838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.612838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.612838 (E_RNA) where: Base-Base interactions energy: -1635.014 where: short stacking energy: -681.411 Base-Backbone interact. energy: -0.371 local terms energy: -669.228388 where: bonds (distance) C4'-P energy: -116.817 bonds (distance) P-C4' energy: -127.871 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -185.000 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2135.944028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.944028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.944028 (E_RNA) where: Base-Base interactions energy: -1488.299 where: short stacking energy: -632.737 Base-Backbone interact. energy: 0.887 local terms energy: -648.531621 where: bonds (distance) C4'-P energy: -122.498 bonds (distance) P-C4' energy: -118.424 flat angles C4'-P-C4' energy: -139.000 flat angles P-C4'-P energy: -95.990 tors. eta vs tors. theta energy: -172.619 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: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2050.605602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.605602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.605602 (E_RNA) where: Base-Base interactions energy: -1429.240 where: short stacking energy: -621.252 Base-Backbone interact. energy: -3.090 local terms energy: -618.276170 where: bonds (distance) C4'-P energy: -126.382 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -133.106 flat angles P-C4'-P energy: -70.686 tors. eta vs tors. theta energy: -166.647 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: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1984.214322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.214322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.214322 (E_RNA) where: Base-Base interactions energy: -1395.417 where: short stacking energy: -595.430 Base-Backbone interact. energy: 0.299 local terms energy: -589.096353 where: bonds (distance) C4'-P energy: -113.895 bonds (distance) P-C4' energy: -115.305 flat angles C4'-P-C4' energy: -125.279 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -163.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1689.098776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.098776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.098776 (E_RNA) where: Base-Base interactions energy: -1158.877 where: short stacking energy: -494.436 Base-Backbone interact. energy: -2.173 local terms energy: -528.049116 where: bonds (distance) C4'-P energy: -120.391 bonds (distance) P-C4' energy: -99.829 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -78.057 tors. eta vs tors. theta energy: -107.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1506.078249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.078249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.078249 (E_RNA) where: Base-Base interactions energy: -988.423 where: short stacking energy: -424.470 Base-Backbone interact. energy: 0.158 local terms energy: -517.812785 where: bonds (distance) C4'-P energy: -113.734 bonds (distance) P-C4' energy: -114.903 flat angles C4'-P-C4' energy: -123.249 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -85.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1145.924863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.924863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.924863 (E_RNA) where: Base-Base interactions energy: -725.113 where: short stacking energy: -314.272 Base-Backbone interact. energy: 1.118 local terms energy: -421.929378 where: bonds (distance) C4'-P energy: -106.984 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -37.057 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: 415 Temperature: 0.900000 Total energy: -2544.661969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.661969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.661969 (E_RNA) where: Base-Base interactions energy: -1821.509 where: short stacking energy: -720.838 Base-Backbone interact. energy: -0.371 local terms energy: -722.782898 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -143.898 flat angles C4'-P-C4' energy: -163.449 flat angles P-C4'-P energy: -91.897 tors. eta vs tors. theta energy: -202.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2429.830238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.830238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.830238 (E_RNA) where: Base-Base interactions energy: -1712.875 where: short stacking energy: -741.770 Base-Backbone interact. energy: -0.979 local terms energy: -715.976850 where: bonds (distance) C4'-P energy: -129.354 bonds (distance) P-C4' energy: -134.546 flat angles C4'-P-C4' energy: -147.426 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -201.903 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: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2358.071890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.071890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.071890 (E_RNA) where: Base-Base interactions energy: -1654.140 where: short stacking energy: -718.138 Base-Backbone interact. energy: -2.896 local terms energy: -701.035511 where: bonds (distance) C4'-P energy: -123.231 bonds (distance) P-C4' energy: -128.670 flat angles C4'-P-C4' energy: -142.325 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -203.616 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: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2253.563692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.563692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.563692 (E_RNA) where: Base-Base interactions energy: -1596.225 where: short stacking energy: -697.421 Base-Backbone interact. energy: -2.022 local terms energy: -655.316198 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -102.934 flat angles C4'-P-C4' energy: -151.960 flat angles P-C4'-P energy: -95.416 tors. eta vs tors. theta energy: -193.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2132.907413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.907413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.907413 (E_RNA) where: Base-Base interactions energy: -1483.869 where: short stacking energy: -629.319 Base-Backbone interact. energy: -0.779 local terms energy: -648.259178 where: bonds (distance) C4'-P energy: -118.431 bonds (distance) P-C4' energy: -127.942 flat angles C4'-P-C4' energy: -147.766 flat angles P-C4'-P energy: -88.282 tors. eta vs tors. theta energy: -165.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1989.869920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.869920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.869920 (E_RNA) where: Base-Base interactions energy: -1347.313 where: short stacking energy: -608.638 Base-Backbone interact. energy: -2.929 local terms energy: -639.627577 where: bonds (distance) C4'-P energy: -115.928 bonds (distance) P-C4' energy: -114.877 flat angles C4'-P-C4' energy: -139.186 flat angles P-C4'-P energy: -109.258 tors. eta vs tors. theta energy: -160.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1927.506555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.506555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.506555 (E_RNA) where: Base-Base interactions energy: -1322.520 where: short stacking energy: -581.453 Base-Backbone interact. energy: -3.506 local terms energy: -601.480645 where: bonds (distance) C4'-P energy: -120.110 bonds (distance) P-C4' energy: -119.489 flat angles C4'-P-C4' energy: -133.763 flat angles P-C4'-P energy: -86.810 tors. eta vs tors. theta energy: -141.309 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: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1697.539407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.539407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.539407 (E_RNA) where: Base-Base interactions energy: -1148.063 where: short stacking energy: -472.781 Base-Backbone interact. energy: -2.121 local terms energy: -547.354615 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -113.951 flat angles C4'-P-C4' energy: -132.640 flat angles P-C4'-P energy: -71.513 tors. eta vs tors. theta energy: -107.355 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: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1445.913365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.913365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.913365 (E_RNA) where: Base-Base interactions energy: -948.854 where: short stacking energy: -420.182 Base-Backbone interact. energy: -3.333 local terms energy: -493.726171 where: bonds (distance) C4'-P energy: -118.313 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -122.835 flat angles P-C4'-P energy: -64.671 tors. eta vs tors. theta energy: -73.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1198.633622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.633622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.633622 (E_RNA) where: Base-Base interactions energy: -762.539 where: short stacking energy: -359.124 Base-Backbone interact. energy: 0.267 local terms energy: -436.361388 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -96.444 flat angles C4'-P-C4' energy: -108.195 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -53.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2541.368920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.368920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.368920 (E_RNA) where: Base-Base interactions energy: -1805.300 where: short stacking energy: -740.648 Base-Backbone interact. energy: -1.745 local terms energy: -734.323295 where: bonds (distance) C4'-P energy: -144.001 bonds (distance) P-C4' energy: -140.844 flat angles C4'-P-C4' energy: -145.580 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -202.252 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: 416 Temperature: 0.950000 Total energy: -2423.874244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.874244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.874244 (E_RNA) where: Base-Base interactions energy: -1671.181 where: short stacking energy: -735.573 Base-Backbone interact. energy: -3.855 local terms energy: -748.838067 where: bonds (distance) C4'-P energy: -134.977 bonds (distance) P-C4' energy: -138.066 flat angles C4'-P-C4' energy: -162.190 flat angles P-C4'-P energy: -112.547 tors. eta vs tors. theta energy: -201.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2355.599483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.599483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.599483 (E_RNA) where: Base-Base interactions energy: -1639.465 where: short stacking energy: -698.665 Base-Backbone interact. energy: -1.350 local terms energy: -714.784323 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -127.832 flat angles C4'-P-C4' energy: -157.881 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -196.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2302.833732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.833732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.833732 (E_RNA) where: Base-Base interactions energy: -1603.798 where: short stacking energy: -696.549 Base-Backbone interact. energy: -0.825 local terms energy: -698.210398 where: bonds (distance) C4'-P energy: -112.440 bonds (distance) P-C4' energy: -137.017 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -186.002 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: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2113.591449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.591449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.591449 (E_RNA) where: Base-Base interactions energy: -1485.826 where: short stacking energy: -632.420 Base-Backbone interact. energy: -2.146 local terms energy: -625.619892 where: bonds (distance) C4'-P energy: -118.450 bonds (distance) P-C4' energy: -121.671 flat angles C4'-P-C4' energy: -137.058 flat angles P-C4'-P energy: -93.284 tors. eta vs tors. theta energy: -155.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2008.321818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.321818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.321818 (E_RNA) where: Base-Base interactions energy: -1405.395 where: short stacking energy: -630.116 Base-Backbone interact. energy: -2.590 local terms energy: -600.336764 where: bonds (distance) C4'-P energy: -111.981 bonds (distance) P-C4' energy: -118.376 flat angles C4'-P-C4' energy: -130.609 flat angles P-C4'-P energy: -71.662 tors. eta vs tors. theta energy: -167.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1952.607576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.607576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.607576 (E_RNA) where: Base-Base interactions energy: -1374.731 where: short stacking energy: -582.065 Base-Backbone interact. energy: 0.672 local terms energy: -578.548967 where: bonds (distance) C4'-P energy: -104.798 bonds (distance) P-C4' energy: -118.808 flat angles C4'-P-C4' energy: -126.175 flat angles P-C4'-P energy: -85.495 tors. eta vs tors. theta energy: -143.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1687.435532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.435532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.435532 (E_RNA) where: Base-Base interactions energy: -1151.660 where: short stacking energy: -499.890 Base-Backbone interact. energy: -0.394 local terms energy: -535.382343 where: bonds (distance) C4'-P energy: -99.121 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -110.540 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -122.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1467.445640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.445640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.445640 (E_RNA) where: Base-Base interactions energy: -1009.310 where: short stacking energy: -458.856 Base-Backbone interact. energy: 1.229 local terms energy: -459.364530 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -99.181 flat angles C4'-P-C4' energy: -121.913 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1243.953846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.953846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.953846 (E_RNA) where: Base-Base interactions energy: -800.565 where: short stacking energy: -391.503 Base-Backbone interact. energy: -0.586 local terms energy: -442.803339 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -121.364 flat angles C4'-P-C4' energy: -106.125 flat angles P-C4'-P energy: -68.268 tors. eta vs tors. theta energy: -59.642 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: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2572.974682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.974682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.974682 (E_RNA) where: Base-Base interactions energy: -1838.070 where: short stacking energy: -750.789 Base-Backbone interact. energy: -4.783 local terms energy: -730.121354 where: bonds (distance) C4'-P energy: -141.960 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -148.759 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -199.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2436.919615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.919615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.919615 (E_RNA) where: Base-Base interactions energy: -1717.782 where: short stacking energy: -737.041 Base-Backbone interact. energy: -2.713 local terms energy: -716.424282 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -162.893 flat angles P-C4'-P energy: -98.438 tors. eta vs tors. theta energy: -204.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2373.610159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.610159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.610159 (E_RNA) where: Base-Base interactions energy: -1677.646 where: short stacking energy: -740.343 Base-Backbone interact. energy: -1.991 local terms energy: -693.973597 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -118.839 flat angles C4'-P-C4' energy: -153.148 flat angles P-C4'-P energy: -94.623 tors. eta vs tors. theta energy: -205.591 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: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2233.444048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.444048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.444048 (E_RNA) where: Base-Base interactions energy: -1573.911 where: short stacking energy: -688.283 Base-Backbone interact. energy: -2.131 local terms energy: -657.401347 where: bonds (distance) C4'-P energy: -125.616 bonds (distance) P-C4' energy: -125.118 flat angles C4'-P-C4' energy: -141.070 flat angles P-C4'-P energy: -89.977 tors. eta vs tors. theta energy: -175.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2092.485390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.485390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.485390 (E_RNA) where: Base-Base interactions energy: -1436.011 where: short stacking energy: -617.251 Base-Backbone interact. energy: -3.989 local terms energy: -652.485359 where: bonds (distance) C4'-P energy: -129.345 bonds (distance) P-C4' energy: -121.683 flat angles C4'-P-C4' energy: -154.149 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -155.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2039.523320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.523320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.523320 (E_RNA) where: Base-Base interactions energy: -1376.569 where: short stacking energy: -623.457 Base-Backbone interact. energy: -2.074 local terms energy: -660.880415 where: bonds (distance) C4'-P energy: -139.214 bonds (distance) P-C4' energy: -132.310 flat angles C4'-P-C4' energy: -137.576 flat angles P-C4'-P energy: -85.243 tors. eta vs tors. theta energy: -166.537 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1969.540177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.540177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.540177 (E_RNA) where: Base-Base interactions energy: -1377.466 where: short stacking energy: -575.051 Base-Backbone interact. energy: -3.695 local terms energy: -588.378337 where: bonds (distance) C4'-P energy: -118.981 bonds (distance) P-C4' energy: -121.755 flat angles C4'-P-C4' energy: -129.058 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -146.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1680.008697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.008697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.008697 (E_RNA) where: Base-Base interactions energy: -1137.641 where: short stacking energy: -500.575 Base-Backbone interact. energy: -1.457 local terms energy: -540.910980 where: bonds (distance) C4'-P energy: -96.113 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -127.901 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -104.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1466.408962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.408962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.408962 (E_RNA) where: Base-Base interactions energy: -968.668 where: short stacking energy: -434.579 Base-Backbone interact. energy: -2.287 local terms energy: -495.454520 where: bonds (distance) C4'-P energy: -95.555 bonds (distance) P-C4' energy: -93.600 flat angles C4'-P-C4' energy: -138.571 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -81.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1196.728746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.728746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.728746 (E_RNA) where: Base-Base interactions energy: -768.979 where: short stacking energy: -362.728 Base-Backbone interact. energy: -1.340 local terms energy: -426.409974 where: bonds (distance) C4'-P energy: -99.930 bonds (distance) P-C4' energy: -97.101 flat angles C4'-P-C4' energy: -104.430 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: -53.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2540.925459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.925459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.925459 (E_RNA) where: Base-Base interactions energy: -1818.393 where: short stacking energy: -760.122 Base-Backbone interact. energy: -2.974 local terms energy: -719.558051 where: bonds (distance) C4'-P energy: -131.995 bonds (distance) P-C4' energy: -133.332 flat angles C4'-P-C4' energy: -155.329 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -208.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2427.339393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.339393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.339393 (E_RNA) where: Base-Base interactions energy: -1722.643 where: short stacking energy: -747.521 Base-Backbone interact. energy: -2.780 local terms energy: -701.917012 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -131.813 flat angles C4'-P-C4' energy: -134.879 flat angles P-C4'-P energy: -100.964 tors. eta vs tors. theta energy: -208.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2306.606509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.606509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.606509 (E_RNA) where: Base-Base interactions energy: -1599.586 where: short stacking energy: -715.287 Base-Backbone interact. energy: -1.487 local terms energy: -705.533223 where: bonds (distance) C4'-P energy: -138.965 bonds (distance) P-C4' energy: -129.240 flat angles C4'-P-C4' energy: -143.432 flat angles P-C4'-P energy: -103.863 tors. eta vs tors. theta energy: -190.034 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: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2338.527916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.527916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.527916 (E_RNA) where: Base-Base interactions energy: -1625.279 where: short stacking energy: -707.277 Base-Backbone interact. energy: 4.628 local terms energy: -717.876141 where: bonds (distance) C4'-P energy: -124.382 bonds (distance) P-C4' energy: -143.264 flat angles C4'-P-C4' energy: -149.734 flat angles P-C4'-P energy: -94.651 tors. eta vs tors. theta energy: -205.845 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: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2135.554698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.554698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.554698 (E_RNA) where: Base-Base interactions energy: -1496.415 where: short stacking energy: -645.531 Base-Backbone interact. energy: -3.648 local terms energy: -635.490901 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -132.523 flat angles C4'-P-C4' energy: -133.340 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -167.033 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1995.115487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.115487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.115487 (E_RNA) where: Base-Base interactions energy: -1374.196 where: short stacking energy: -608.948 Base-Backbone interact. energy: 0.049 local terms energy: -620.967948 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -131.614 flat angles C4'-P-C4' energy: -130.659 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -154.284 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1913.386571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.386571 (E_RNA) where: Base-Base interactions energy: -1310.942 where: short stacking energy: -539.626 Base-Backbone interact. energy: 3.408 local terms energy: -605.853125 where: bonds (distance) C4'-P energy: -109.355 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -135.715 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -150.536 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: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1639.331724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.331724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.331724 (E_RNA) where: Base-Base interactions energy: -1130.200 where: short stacking energy: -496.950 Base-Backbone interact. energy: -3.684 local terms energy: -505.448316 where: bonds (distance) C4'-P energy: -89.102 bonds (distance) P-C4' energy: -108.325 flat angles C4'-P-C4' energy: -123.250 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -110.283 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1443.027537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.027537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.027537 (E_RNA) where: Base-Base interactions energy: -968.846 where: short stacking energy: -435.475 Base-Backbone interact. energy: -0.070 local terms energy: -474.112014 where: bonds (distance) C4'-P energy: -92.394 bonds (distance) P-C4' energy: -106.874 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: -91.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1194.049755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.049755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.049755 (E_RNA) where: Base-Base interactions energy: -769.778 where: short stacking energy: -336.772 Base-Backbone interact. energy: 0.353 local terms energy: -424.624695 where: bonds (distance) C4'-P energy: -103.423 bonds (distance) P-C4' energy: -123.757 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -56.744 tors. eta vs tors. theta energy: -40.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2546.737975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.737975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.737975 (E_RNA) where: Base-Base interactions energy: -1806.510 where: short stacking energy: -755.426 Base-Backbone interact. energy: 1.717 local terms energy: -741.944479 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -142.609 flat angles P-C4'-P energy: -111.943 tors. eta vs tors. theta energy: -207.656 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: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2415.317478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.317478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.317478 (E_RNA) where: Base-Base interactions energy: -1698.249 where: short stacking energy: -737.672 Base-Backbone interact. energy: -0.129 local terms energy: -716.940033 where: bonds (distance) C4'-P energy: -135.606 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -158.072 flat angles P-C4'-P energy: -106.367 tors. eta vs tors. theta energy: -199.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2311.591004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.591004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.591004 (E_RNA) where: Base-Base interactions energy: -1601.380 where: short stacking energy: -693.172 Base-Backbone interact. energy: 0.598 local terms energy: -710.809592 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -134.039 flat angles C4'-P-C4' energy: -156.587 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -187.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2306.689516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.689516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.689516 (E_RNA) where: Base-Base interactions energy: -1592.286 where: short stacking energy: -681.065 Base-Backbone interact. energy: -4.339 local terms energy: -710.064201 where: bonds (distance) C4'-P energy: -129.445 bonds (distance) P-C4' energy: -138.641 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -94.429 tors. eta vs tors. theta energy: -191.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2115.873676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.873676 (E_RNA) where: Base-Base interactions energy: -1468.082 where: short stacking energy: -623.390 Base-Backbone interact. energy: 0.599 local terms energy: -648.390494 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -141.746 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -171.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1981.792222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.792222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.792222 (E_RNA) where: Base-Base interactions energy: -1331.468 where: short stacking energy: -576.676 Base-Backbone interact. energy: -4.094 local terms energy: -646.230640 where: bonds (distance) C4'-P energy: -129.744 bonds (distance) P-C4' energy: -118.981 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -153.703 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: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1936.827728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.827728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.827728 (E_RNA) where: Base-Base interactions energy: -1363.488 where: short stacking energy: -565.631 Base-Backbone interact. energy: -1.992 local terms energy: -571.347778 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -111.818 flat angles C4'-P-C4' energy: -131.848 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -146.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1717.815958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.815958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.815958 (E_RNA) where: Base-Base interactions energy: -1222.335 where: short stacking energy: -564.828 Base-Backbone interact. energy: 0.523 local terms energy: -496.003127 where: bonds (distance) C4'-P energy: -105.826 bonds (distance) P-C4' energy: -77.300 flat angles C4'-P-C4' energy: -107.217 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -131.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1450.333187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.333187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.333187 (E_RNA) where: Base-Base interactions energy: -962.679 where: short stacking energy: -411.345 Base-Backbone interact. energy: -1.282 local terms energy: -486.373005 where: bonds (distance) C4'-P energy: -102.519 bonds (distance) P-C4' energy: -115.712 flat angles C4'-P-C4' energy: -117.776 flat angles P-C4'-P energy: -66.118 tors. eta vs tors. theta energy: -84.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1223.449058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.449058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.449058 (E_RNA) where: Base-Base interactions energy: -767.814 where: short stacking energy: -348.984 Base-Backbone interact. energy: -0.379 local terms energy: -455.255947 where: bonds (distance) C4'-P energy: -116.084 bonds (distance) P-C4' energy: -125.586 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -67.990 tors. eta vs tors. theta energy: -52.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2557.575368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.575368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.575368 (E_RNA) where: Base-Base interactions energy: -1822.810 where: short stacking energy: -763.733 Base-Backbone interact. energy: -0.236 local terms energy: -734.529750 where: bonds (distance) C4'-P energy: -136.483 bonds (distance) P-C4' energy: -134.892 flat angles C4'-P-C4' energy: -154.287 flat angles P-C4'-P energy: -102.356 tors. eta vs tors. theta energy: -206.512 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: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2437.020069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.020069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.020069 (E_RNA) where: Base-Base interactions energy: -1704.779 where: short stacking energy: -739.037 Base-Backbone interact. energy: -4.232 local terms energy: -728.008978 where: bonds (distance) C4'-P energy: -127.379 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -158.390 flat angles P-C4'-P energy: -107.862 tors. eta vs tors. theta energy: -195.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2344.433110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.433110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.433110 (E_RNA) where: Base-Base interactions energy: -1622.025 where: short stacking energy: -700.723 Base-Backbone interact. energy: -0.297 local terms energy: -722.110280 where: bonds (distance) C4'-P energy: -117.949 bonds (distance) P-C4' energy: -153.683 flat angles C4'-P-C4' energy: -162.426 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -190.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2289.347697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.347697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.347697 (E_RNA) where: Base-Base interactions energy: -1596.566 where: short stacking energy: -680.682 Base-Backbone interact. energy: -2.430 local terms energy: -690.351146 where: bonds (distance) C4'-P energy: -129.485 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -197.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2157.202129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.202129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.202129 (E_RNA) where: Base-Base interactions energy: -1526.716 where: short stacking energy: -671.273 Base-Backbone interact. energy: -0.183 local terms energy: -630.303666 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -114.216 flat angles C4'-P-C4' energy: -135.828 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -179.598 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: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1961.584119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.584119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.584119 (E_RNA) where: Base-Base interactions energy: -1354.269 where: short stacking energy: -583.895 Base-Backbone interact. energy: -0.245 local terms energy: -607.070843 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -105.587 flat angles C4'-P-C4' energy: -143.472 flat angles P-C4'-P energy: -96.011 tors. eta vs tors. theta energy: -149.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1940.970799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.970799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.970799 (E_RNA) where: Base-Base interactions energy: -1364.765 where: short stacking energy: -559.413 Base-Backbone interact. energy: 3.038 local terms energy: -579.243825 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -124.052 flat angles C4'-P-C4' energy: -125.791 flat angles P-C4'-P energy: -61.956 tors. eta vs tors. theta energy: -144.747 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: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1678.863631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.863631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.863631 (E_RNA) where: Base-Base interactions energy: -1129.873 where: short stacking energy: -486.005 Base-Backbone interact. energy: -1.232 local terms energy: -547.758956 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -108.761 flat angles C4'-P-C4' energy: -125.893 flat angles P-C4'-P energy: -89.220 tors. eta vs tors. theta energy: -110.145 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: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1448.622775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.622775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.622775 (E_RNA) where: Base-Base interactions energy: -979.061 where: short stacking energy: -448.268 Base-Backbone interact. energy: -2.212 local terms energy: -467.349715 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -102.717 flat angles C4'-P-C4' energy: -117.398 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -72.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1223.977741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.977741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.977741 (E_RNA) where: Base-Base interactions energy: -772.736 where: short stacking energy: -351.481 Base-Backbone interact. energy: 1.515 local terms energy: -452.756439 where: bonds (distance) C4'-P energy: -103.026 bonds (distance) P-C4' energy: -125.709 flat angles C4'-P-C4' energy: -115.225 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -46.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2527.256141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.256141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.256141 (E_RNA) where: Base-Base interactions energy: -1806.550 where: short stacking energy: -754.643 Base-Backbone interact. energy: -3.377 local terms energy: -717.329383 where: bonds (distance) C4'-P energy: -139.187 bonds (distance) P-C4' energy: -125.766 flat angles C4'-P-C4' energy: -155.404 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -208.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2404.583819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.583819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.583819 (E_RNA) where: Base-Base interactions energy: -1681.660 where: short stacking energy: -702.181 Base-Backbone interact. energy: -0.845 local terms energy: -722.078052 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -150.958 flat angles P-C4'-P energy: -102.005 tors. eta vs tors. theta energy: -210.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2336.545440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.545440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.545440 (E_RNA) where: Base-Base interactions energy: -1608.426 where: short stacking energy: -681.712 Base-Backbone interact. energy: -1.473 local terms energy: -726.646862 where: bonds (distance) C4'-P energy: -137.499 bonds (distance) P-C4' energy: -132.188 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -117.630 tors. eta vs tors. theta energy: -185.772 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: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2314.905648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.905648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.905648 (E_RNA) where: Base-Base interactions energy: -1631.318 where: short stacking energy: -707.019 Base-Backbone interact. energy: -1.256 local terms energy: -682.331683 where: bonds (distance) C4'-P energy: -122.209 bonds (distance) P-C4' energy: -108.590 flat angles C4'-P-C4' energy: -151.603 flat angles P-C4'-P energy: -96.685 tors. eta vs tors. theta energy: -203.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2142.176709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.176709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.176709 (E_RNA) where: Base-Base interactions energy: -1512.060 where: short stacking energy: -660.546 Base-Backbone interact. energy: -0.483 local terms energy: -629.633039 where: bonds (distance) C4'-P energy: -108.334 bonds (distance) P-C4' energy: -103.302 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -181.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1987.240667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.240667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.240667 (E_RNA) where: Base-Base interactions energy: -1371.344 where: short stacking energy: -582.914 Base-Backbone interact. energy: -3.195 local terms energy: -612.701053 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -132.222 flat angles C4'-P-C4' energy: -117.658 flat angles P-C4'-P energy: -98.719 tors. eta vs tors. theta energy: -147.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1981.460639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.460639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.460639 (E_RNA) where: Base-Base interactions energy: -1374.738 where: short stacking energy: -599.259 Base-Backbone interact. energy: -4.663 local terms energy: -602.059501 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -110.985 flat angles C4'-P-C4' energy: -138.012 flat angles P-C4'-P energy: -73.229 tors. eta vs tors. theta energy: -150.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1701.096134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.096134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.096134 (E_RNA) where: Base-Base interactions energy: -1132.366 where: short stacking energy: -487.555 Base-Backbone interact. energy: -4.047 local terms energy: -564.683173 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -130.243 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -122.690 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: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1491.752676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.752676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.752676 (E_RNA) where: Base-Base interactions energy: -994.445 where: short stacking energy: -447.448 Base-Backbone interact. energy: -0.288 local terms energy: -497.019251 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -102.358 flat angles C4'-P-C4' energy: -128.686 flat angles P-C4'-P energy: -70.820 tors. eta vs tors. theta energy: -92.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1151.106418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.106418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.106418 (E_RNA) where: Base-Base interactions energy: -736.310 where: short stacking energy: -337.931 Base-Backbone interact. energy: -0.805 local terms energy: -413.991438 where: bonds (distance) C4'-P energy: -110.205 bonds (distance) P-C4' energy: -100.640 flat angles C4'-P-C4' energy: -106.904 flat angles P-C4'-P energy: -71.688 tors. eta vs tors. theta energy: -24.554 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: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2554.395650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.395650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.395650 (E_RNA) where: Base-Base interactions energy: -1810.118 where: short stacking energy: -767.892 Base-Backbone interact. energy: -1.501 local terms energy: -742.776486 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -136.236 flat angles C4'-P-C4' energy: -164.816 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -213.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2424.636658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.636658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.636658 (E_RNA) where: Base-Base interactions energy: -1712.702 where: short stacking energy: -753.331 Base-Backbone interact. energy: 6.551 local terms energy: -718.486372 where: bonds (distance) C4'-P energy: -138.579 bonds (distance) P-C4' energy: -135.906 flat angles C4'-P-C4' energy: -156.935 flat angles P-C4'-P energy: -87.469 tors. eta vs tors. theta energy: -199.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2382.204942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.204942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.204942 (E_RNA) where: Base-Base interactions energy: -1659.306 where: short stacking energy: -737.675 Base-Backbone interact. energy: -2.490 local terms energy: -720.409224 where: bonds (distance) C4'-P energy: -129.583 bonds (distance) P-C4' energy: -132.180 flat angles C4'-P-C4' energy: -148.781 flat angles P-C4'-P energy: -105.743 tors. eta vs tors. theta energy: -204.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2308.964309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.964309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.964309 (E_RNA) where: Base-Base interactions energy: -1624.574 where: short stacking energy: -695.982 Base-Backbone interact. energy: 3.280 local terms energy: -687.669607 where: bonds (distance) C4'-P energy: -130.852 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -150.990 flat angles P-C4'-P energy: -98.639 tors. eta vs tors. theta energy: -185.976 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2154.371140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.371140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.371140 (E_RNA) where: Base-Base interactions energy: -1509.355 where: short stacking energy: -631.239 Base-Backbone interact. energy: -1.193 local terms energy: -643.822902 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -97.961 flat angles C4'-P-C4' energy: -146.418 flat angles P-C4'-P energy: -100.611 tors. eta vs tors. theta energy: -171.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1996.621632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.621632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.621632 (E_RNA) where: Base-Base interactions energy: -1352.159 where: short stacking energy: -575.407 Base-Backbone interact. energy: -3.835 local terms energy: -640.627576 where: bonds (distance) C4'-P energy: -127.018 bonds (distance) P-C4' energy: -132.208 flat angles C4'-P-C4' energy: -144.809 flat angles P-C4'-P energy: -95.614 tors. eta vs tors. theta energy: -140.978 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: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1964.808883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.808883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.808883 (E_RNA) where: Base-Base interactions energy: -1368.515 where: short stacking energy: -580.316 Base-Backbone interact. energy: 0.658 local terms energy: -596.951044 where: bonds (distance) C4'-P energy: -117.736 bonds (distance) P-C4' energy: -113.122 flat angles C4'-P-C4' energy: -130.532 flat angles P-C4'-P energy: -90.489 tors. eta vs tors. theta energy: -145.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1683.888477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.888477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.888477 (E_RNA) where: Base-Base interactions energy: -1144.911 where: short stacking energy: -494.829 Base-Backbone interact. energy: 7.267 local terms energy: -546.244447 where: bonds (distance) C4'-P energy: -120.801 bonds (distance) P-C4' energy: -108.003 flat angles C4'-P-C4' energy: -135.364 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -93.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1458.249121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.249121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.249121 (E_RNA) where: Base-Base interactions energy: -976.984 where: short stacking energy: -434.701 Base-Backbone interact. energy: 2.437 local terms energy: -483.701863 where: bonds (distance) C4'-P energy: -105.617 bonds (distance) P-C4' energy: -90.617 flat angles C4'-P-C4' energy: -111.718 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -91.431 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: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1197.037341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.037341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.037341 (E_RNA) where: Base-Base interactions energy: -734.057 where: short stacking energy: -340.106 Base-Backbone interact. energy: -1.583 local terms energy: -461.397187 where: bonds (distance) C4'-P energy: -104.158 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -36.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2529.004889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.004889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.004889 (E_RNA) where: Base-Base interactions energy: -1781.957 where: short stacking energy: -730.983 Base-Backbone interact. energy: 0.243 local terms energy: -747.290696 where: bonds (distance) C4'-P energy: -140.510 bonds (distance) P-C4' energy: -134.056 flat angles C4'-P-C4' energy: -154.916 flat angles P-C4'-P energy: -113.628 tors. eta vs tors. theta energy: -204.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2418.180784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.180784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.180784 (E_RNA) where: Base-Base interactions energy: -1717.771 where: short stacking energy: -739.540 Base-Backbone interact. energy: -1.155 local terms energy: -699.255116 where: bonds (distance) C4'-P energy: -123.520 bonds (distance) P-C4' energy: -130.076 flat angles C4'-P-C4' energy: -147.474 flat angles P-C4'-P energy: -98.269 tors. eta vs tors. theta energy: -199.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2329.221092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.221092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.221092 (E_RNA) where: Base-Base interactions energy: -1616.585 where: short stacking energy: -691.256 Base-Backbone interact. energy: -4.084 local terms energy: -708.552400 where: bonds (distance) C4'-P energy: -128.732 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -156.116 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -200.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2285.657803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.657803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.657803 (E_RNA) where: Base-Base interactions energy: -1588.353 where: short stacking energy: -677.077 Base-Backbone interact. energy: -1.176 local terms energy: -696.128890 where: bonds (distance) C4'-P energy: -118.714 bonds (distance) P-C4' energy: -131.037 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -103.178 tors. eta vs tors. theta energy: -191.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2132.340612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.340612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.340612 (E_RNA) where: Base-Base interactions energy: -1472.641 where: short stacking energy: -644.359 Base-Backbone interact. energy: -3.092 local terms energy: -656.684184 where: bonds (distance) C4'-P energy: -125.672 bonds (distance) P-C4' energy: -108.067 flat angles C4'-P-C4' energy: -150.245 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -178.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2010.331900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.331900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.331900 (E_RNA) where: Base-Base interactions energy: -1413.513 where: short stacking energy: -621.637 Base-Backbone interact. energy: -3.985 local terms energy: -592.970634 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -106.157 flat angles C4'-P-C4' energy: -138.525 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -145.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1950.444798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.444798 (E_RNA) where: Base-Base interactions energy: -1344.679 where: short stacking energy: -578.952 Base-Backbone interact. energy: 2.380 local terms energy: -608.146468 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -118.035 flat angles C4'-P-C4' energy: -137.524 flat angles P-C4'-P energy: -78.977 tors. eta vs tors. theta energy: -156.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1686.513546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.513546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.513546 (E_RNA) where: Base-Base interactions energy: -1155.190 where: short stacking energy: -496.599 Base-Backbone interact. energy: -1.110 local terms energy: -530.212970 where: bonds (distance) C4'-P energy: -110.161 bonds (distance) P-C4' energy: -103.099 flat angles C4'-P-C4' energy: -126.436 flat angles P-C4'-P energy: -86.622 tors. eta vs tors. theta energy: -103.894 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: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1445.066091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.066091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.066091 (E_RNA) where: Base-Base interactions energy: -966.566 where: short stacking energy: -435.000 Base-Backbone interact. energy: 5.019 local terms energy: -483.519615 where: bonds (distance) C4'-P energy: -110.440 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -107.147 flat angles P-C4'-P energy: -76.876 tors. eta vs tors. theta energy: -71.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1205.969041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.969041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.969041 (E_RNA) where: Base-Base interactions energy: -805.082 where: short stacking energy: -371.588 Base-Backbone interact. energy: 2.473 local terms energy: -403.360469 where: bonds (distance) C4'-P energy: -86.523 bonds (distance) P-C4' energy: -93.902 flat angles C4'-P-C4' energy: -110.891 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: -53.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2537.906192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.906192 (E_RNA) where: Base-Base interactions energy: -1799.868 where: short stacking energy: -757.206 Base-Backbone interact. energy: -0.633 local terms energy: -737.404695 where: bonds (distance) C4'-P energy: -137.500 bonds (distance) P-C4' energy: -127.034 flat angles C4'-P-C4' energy: -157.864 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -207.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2433.354779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.354779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.354779 (E_RNA) where: Base-Base interactions energy: -1695.051 where: short stacking energy: -765.603 Base-Backbone interact. energy: 0.056 local terms energy: -738.360216 where: bonds (distance) C4'-P energy: -135.132 bonds (distance) P-C4' energy: -133.839 flat angles C4'-P-C4' energy: -150.031 flat angles P-C4'-P energy: -99.478 tors. eta vs tors. theta energy: -219.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2358.896155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.896155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.896155 (E_RNA) where: Base-Base interactions energy: -1664.160 where: short stacking energy: -700.177 Base-Backbone interact. energy: -0.691 local terms energy: -694.045208 where: bonds (distance) C4'-P energy: -113.097 bonds (distance) P-C4' energy: -126.688 flat angles C4'-P-C4' energy: -158.444 flat angles P-C4'-P energy: -102.345 tors. eta vs tors. theta energy: -193.471 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: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2251.305915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.305915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.305915 (E_RNA) where: Base-Base interactions energy: -1599.106 where: short stacking energy: -701.857 Base-Backbone interact. energy: -0.520 local terms energy: -651.679864 where: bonds (distance) C4'-P energy: -98.320 bonds (distance) P-C4' energy: -121.571 flat angles C4'-P-C4' energy: -136.373 flat angles P-C4'-P energy: -108.583 tors. eta vs tors. theta energy: -186.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2108.263859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.263859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.263859 (E_RNA) where: Base-Base interactions energy: -1467.899 where: short stacking energy: -642.041 Base-Backbone interact. energy: -1.342 local terms energy: -639.023716 where: bonds (distance) C4'-P energy: -111.226 bonds (distance) P-C4' energy: -133.117 flat angles C4'-P-C4' energy: -137.894 flat angles P-C4'-P energy: -95.177 tors. eta vs tors. theta energy: -161.610 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: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2020.626434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.626434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.626434 (E_RNA) where: Base-Base interactions energy: -1380.043 where: short stacking energy: -586.349 Base-Backbone interact. energy: 0.890 local terms energy: -641.473351 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -137.889 flat angles C4'-P-C4' energy: -135.637 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -146.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1916.672299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.672299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.672299 (E_RNA) where: Base-Base interactions energy: -1352.347 where: short stacking energy: -565.879 Base-Backbone interact. energy: -2.040 local terms energy: -562.285941 where: bonds (distance) C4'-P energy: -95.695 bonds (distance) P-C4' energy: -107.564 flat angles C4'-P-C4' energy: -136.995 flat angles P-C4'-P energy: -81.412 tors. eta vs tors. theta energy: -140.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1673.045982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.045982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.045982 (E_RNA) where: Base-Base interactions energy: -1136.818 where: short stacking energy: -506.767 Base-Backbone interact. energy: -0.526 local terms energy: -535.701531 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -105.029 flat angles C4'-P-C4' energy: -124.465 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: -110.130 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: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1406.345996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.345996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.345996 (E_RNA) where: Base-Base interactions energy: -890.929 where: short stacking energy: -400.306 Base-Backbone interact. energy: 0.344 local terms energy: -515.760331 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -123.736 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -84.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1168.769012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.769012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.769012 (E_RNA) where: Base-Base interactions energy: -732.243 where: short stacking energy: -350.978 Base-Backbone interact. energy: -2.284 local terms energy: -434.241398 where: bonds (distance) C4'-P energy: -106.198 bonds (distance) P-C4' energy: -113.686 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -53.772 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: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2551.293275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.293275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.293275 (E_RNA) where: Base-Base interactions energy: -1783.104 where: short stacking energy: -739.165 Base-Backbone interact. energy: -1.154 local terms energy: -767.035527 where: bonds (distance) C4'-P energy: -139.214 bonds (distance) P-C4' energy: -152.024 flat angles C4'-P-C4' energy: -155.432 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -215.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2430.614279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.614279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.614279 (E_RNA) where: Base-Base interactions energy: -1716.310 where: short stacking energy: -781.967 Base-Backbone interact. energy: -2.119 local terms energy: -712.185024 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -156.571 flat angles P-C4'-P energy: -91.709 tors. eta vs tors. theta energy: -219.154 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: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2383.461175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.461175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.461175 (E_RNA) where: Base-Base interactions energy: -1673.092 where: short stacking energy: -713.185 Base-Backbone interact. energy: -2.117 local terms energy: -708.251880 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -124.700 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -202.458 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: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2250.604192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.604192 (E_RNA) where: Base-Base interactions energy: -1571.858 where: short stacking energy: -653.367 Base-Backbone interact. energy: 0.048 local terms energy: -678.794254 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -134.686 flat angles C4'-P-C4' energy: -141.089 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -177.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2076.450762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.450762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.450762 (E_RNA) where: Base-Base interactions energy: -1444.179 where: short stacking energy: -624.006 Base-Backbone interact. energy: -1.232 local terms energy: -631.039405 where: bonds (distance) C4'-P energy: -115.012 bonds (distance) P-C4' energy: -125.136 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -90.777 tors. eta vs tors. theta energy: -154.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2033.836922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.836922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.836922 (E_RNA) where: Base-Base interactions energy: -1417.647 where: short stacking energy: -573.811 Base-Backbone interact. energy: 2.905 local terms energy: -619.095162 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -126.445 flat angles C4'-P-C4' energy: -132.797 flat angles P-C4'-P energy: -96.567 tors. eta vs tors. theta energy: -137.868 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: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1893.167570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.167570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.167570 (E_RNA) where: Base-Base interactions energy: -1301.984 where: short stacking energy: -554.052 Base-Backbone interact. energy: -2.096 local terms energy: -589.087008 where: bonds (distance) C4'-P energy: -107.979 bonds (distance) P-C4' energy: -129.025 flat angles C4'-P-C4' energy: -118.366 flat angles P-C4'-P energy: -86.688 tors. eta vs tors. theta energy: -147.028 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: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1684.463844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.463844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.463844 (E_RNA) where: Base-Base interactions energy: -1128.195 where: short stacking energy: -476.609 Base-Backbone interact. energy: -3.201 local terms energy: -553.180923 where: bonds (distance) C4'-P energy: -107.435 bonds (distance) P-C4' energy: -123.652 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -79.999 tors. eta vs tors. theta energy: -114.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1419.095718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.095718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.095718 (E_RNA) where: Base-Base interactions energy: -905.762 where: short stacking energy: -425.855 Base-Backbone interact. energy: -3.282 local terms energy: -510.051009 where: bonds (distance) C4'-P energy: -109.065 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -100.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1190.035296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.035296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.035296 (E_RNA) where: Base-Base interactions energy: -754.127 where: short stacking energy: -350.048 Base-Backbone interact. energy: -1.119 local terms energy: -434.789041 where: bonds (distance) C4'-P energy: -106.443 bonds (distance) P-C4' energy: -115.759 flat angles C4'-P-C4' energy: -116.815 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -48.285 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: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2522.745995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.745995 (E_RNA) where: Base-Base interactions energy: -1798.981 where: short stacking energy: -757.100 Base-Backbone interact. energy: -3.546 local terms energy: -720.218321 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -145.021 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -202.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2441.958365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.958365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.958365 (E_RNA) where: Base-Base interactions energy: -1722.532 where: short stacking energy: -730.504 Base-Backbone interact. energy: -3.329 local terms energy: -716.097719 where: bonds (distance) C4'-P energy: -140.787 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -153.904 flat angles P-C4'-P energy: -102.270 tors. eta vs tors. theta energy: -206.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2363.406995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.406995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.406995 (E_RNA) where: Base-Base interactions energy: -1653.111 where: short stacking energy: -711.450 Base-Backbone interact. energy: -1.374 local terms energy: -708.921858 where: bonds (distance) C4'-P energy: -132.233 bonds (distance) P-C4' energy: -142.624 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -199.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2277.185785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.185785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.185785 (E_RNA) where: Base-Base interactions energy: -1582.856 where: short stacking energy: -685.642 Base-Backbone interact. energy: 0.060 local terms energy: -694.389638 where: bonds (distance) C4'-P energy: -122.804 bonds (distance) P-C4' energy: -131.946 flat angles C4'-P-C4' energy: -147.797 flat angles P-C4'-P energy: -105.247 tors. eta vs tors. theta energy: -186.595 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: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2069.993338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.993338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.993338 (E_RNA) where: Base-Base interactions energy: -1429.506 where: short stacking energy: -622.300 Base-Backbone interact. energy: 6.683 local terms energy: -647.169986 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -140.321 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -163.882 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: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2050.164172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.164172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.164172 (E_RNA) where: Base-Base interactions energy: -1439.221 where: short stacking energy: -593.636 Base-Backbone interact. energy: 3.772 local terms energy: -616.089038 where: bonds (distance) C4'-P energy: -104.672 bonds (distance) P-C4' energy: -126.846 flat angles C4'-P-C4' energy: -145.150 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -168.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.374 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1830.395288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.395288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.395288 (E_RNA) where: Base-Base interactions energy: -1252.906 where: short stacking energy: -526.058 Base-Backbone interact. energy: 0.380 local terms energy: -577.869612 where: bonds (distance) C4'-P energy: -94.550 bonds (distance) P-C4' energy: -121.354 flat angles C4'-P-C4' energy: -135.444 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -133.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1690.625588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.625588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.625588 (E_RNA) where: Base-Base interactions energy: -1146.585 where: short stacking energy: -496.928 Base-Backbone interact. energy: 3.563 local terms energy: -547.603489 where: bonds (distance) C4'-P energy: -94.792 bonds (distance) P-C4' energy: -130.089 flat angles C4'-P-C4' energy: -123.881 flat angles P-C4'-P energy: -81.674 tors. eta vs tors. theta energy: -117.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1469.466509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.466509 (E_RNA) where: Base-Base interactions energy: -996.243 where: short stacking energy: -456.139 Base-Backbone interact. energy: 1.646 local terms energy: -474.869803 where: bonds (distance) C4'-P energy: -112.788 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -116.584 flat angles P-C4'-P energy: -73.481 tors. eta vs tors. theta energy: -86.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1181.486466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.486466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.486466 (E_RNA) where: Base-Base interactions energy: -745.866 where: short stacking energy: -346.946 Base-Backbone interact. energy: -2.268 local terms energy: -433.352864 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -116.664 flat angles P-C4'-P energy: -56.860 tors. eta vs tors. theta energy: -43.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2546.550268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.550268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.550268 (E_RNA) where: Base-Base interactions energy: -1803.873 where: short stacking energy: -739.613 Base-Backbone interact. energy: -4.198 local terms energy: -738.478836 where: bonds (distance) C4'-P energy: -135.220 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -210.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2418.614557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.614557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.614557 (E_RNA) where: Base-Base interactions energy: -1672.761 where: short stacking energy: -760.083 Base-Backbone interact. energy: -1.336 local terms energy: -744.517335 where: bonds (distance) C4'-P energy: -145.708 bonds (distance) P-C4' energy: -126.624 flat angles C4'-P-C4' energy: -164.038 flat angles P-C4'-P energy: -99.411 tors. eta vs tors. theta energy: -208.736 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: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2347.537137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.537137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.537137 (E_RNA) where: Base-Base interactions energy: -1616.514 where: short stacking energy: -691.666 Base-Backbone interact. energy: -1.259 local terms energy: -729.763532 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -150.236 flat angles P-C4'-P energy: -104.145 tors. eta vs tors. theta energy: -198.097 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: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2273.449277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.449277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.449277 (E_RNA) where: Base-Base interactions energy: -1626.661 where: short stacking energy: -682.964 Base-Backbone interact. energy: -1.310 local terms energy: -645.478580 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -114.841 flat angles C4'-P-C4' energy: -156.059 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -168.783 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: 427 Temperature: 1.100000 Total energy: -2075.922342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.922342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.922342 (E_RNA) where: Base-Base interactions energy: -1438.278 where: short stacking energy: -614.617 Base-Backbone interact. energy: -2.674 local terms energy: -635.932782 where: bonds (distance) C4'-P energy: -126.723 bonds (distance) P-C4' energy: -115.134 flat angles C4'-P-C4' energy: -140.631 flat angles P-C4'-P energy: -93.479 tors. eta vs tors. theta energy: -159.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.962 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2048.531425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.531425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.531425 (E_RNA) where: Base-Base interactions energy: -1415.562 where: short stacking energy: -621.372 Base-Backbone interact. energy: -2.070 local terms energy: -630.900022 where: bonds (distance) C4'-P energy: -127.570 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -144.311 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: -171.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1849.741285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.741285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.741285 (E_RNA) where: Base-Base interactions energy: -1284.867 where: short stacking energy: -550.984 Base-Backbone interact. energy: -0.358 local terms energy: -564.515743 where: bonds (distance) C4'-P energy: -98.848 bonds (distance) P-C4' energy: -113.737 flat angles C4'-P-C4' energy: -132.934 flat angles P-C4'-P energy: -89.579 tors. eta vs tors. theta energy: -129.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1719.257222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.257222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.257222 (E_RNA) where: Base-Base interactions energy: -1188.226 where: short stacking energy: -522.017 Base-Backbone interact. energy: -3.033 local terms energy: -527.997839 where: bonds (distance) C4'-P energy: -109.780 bonds (distance) P-C4' energy: -98.210 flat angles C4'-P-C4' energy: -138.792 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -118.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1398.727499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.727499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.727499 (E_RNA) where: Base-Base interactions energy: -898.989 where: short stacking energy: -396.961 Base-Backbone interact. energy: 5.737 local terms energy: -505.475314 where: bonds (distance) C4'-P energy: -106.585 bonds (distance) P-C4' energy: -123.112 flat angles C4'-P-C4' energy: -126.973 flat angles P-C4'-P energy: -75.295 tors. eta vs tors. theta energy: -73.510 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: 427 Temperature: 1.350000 Total energy: -1152.701246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.701246 (E_RNA) where: Base-Base interactions energy: -718.450 where: short stacking energy: -341.773 Base-Backbone interact. energy: 3.087 local terms energy: -437.337817 where: bonds (distance) C4'-P energy: -132.926 bonds (distance) P-C4' energy: -92.979 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -63.476 tors. eta vs tors. theta energy: -36.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2554.038469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.038469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.038469 (E_RNA) where: Base-Base interactions energy: -1803.290 where: short stacking energy: -733.619 Base-Backbone interact. energy: -1.921 local terms energy: -748.827306 where: bonds (distance) C4'-P energy: -139.927 bonds (distance) P-C4' energy: -127.016 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -109.386 tors. eta vs tors. theta energy: -215.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2419.383128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.383128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.383128 (E_RNA) where: Base-Base interactions energy: -1701.084 where: short stacking energy: -743.642 Base-Backbone interact. energy: -1.109 local terms energy: -717.190455 where: bonds (distance) C4'-P energy: -136.141 bonds (distance) P-C4' energy: -126.339 flat angles C4'-P-C4' energy: -141.239 flat angles P-C4'-P energy: -104.898 tors. eta vs tors. theta energy: -208.573 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: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2377.187561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.187561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.187561 (E_RNA) where: Base-Base interactions energy: -1667.703 where: short stacking energy: -729.425 Base-Backbone interact. energy: -4.679 local terms energy: -704.805982 where: bonds (distance) C4'-P energy: -123.251 bonds (distance) P-C4' energy: -124.836 flat angles C4'-P-C4' energy: -152.052 flat angles P-C4'-P energy: -107.067 tors. eta vs tors. theta energy: -197.600 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: 428 Temperature: 1.050000 Total energy: -2263.580397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.580397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.580397 (E_RNA) where: Base-Base interactions energy: -1571.773 where: short stacking energy: -669.401 Base-Backbone interact. energy: -0.304 local terms energy: -691.503150 where: bonds (distance) C4'-P energy: -134.840 bonds (distance) P-C4' energy: -135.855 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -102.341 tors. eta vs tors. theta energy: -172.905 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: 428 Temperature: 1.100000 Total energy: -2059.908211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.908211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.908211 (E_RNA) where: Base-Base interactions energy: -1442.781 where: short stacking energy: -621.375 Base-Backbone interact. energy: 1.032 local terms energy: -618.159043 where: bonds (distance) C4'-P energy: -107.978 bonds (distance) P-C4' energy: -139.916 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -78.845 tors. eta vs tors. theta energy: -155.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2010.652443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.652443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.652443 (E_RNA) where: Base-Base interactions energy: -1391.050 where: short stacking energy: -592.592 Base-Backbone interact. energy: -0.005 local terms energy: -619.596902 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -141.589 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -158.126 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: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1860.376096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.376096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.376096 (E_RNA) where: Base-Base interactions energy: -1281.752 where: short stacking energy: -552.996 Base-Backbone interact. energy: 2.802 local terms energy: -581.425976 where: bonds (distance) C4'-P energy: -111.958 bonds (distance) P-C4' energy: -111.333 flat angles C4'-P-C4' energy: -137.845 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -132.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1740.745116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.745116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.745116 (E_RNA) where: Base-Base interactions energy: -1222.128 where: short stacking energy: -543.655 Base-Backbone interact. energy: 4.197 local terms energy: -522.814219 where: bonds (distance) C4'-P energy: -109.143 bonds (distance) P-C4' energy: -109.890 flat angles C4'-P-C4' energy: -123.468 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -116.351 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: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1391.921985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.921985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.921985 (E_RNA) where: Base-Base interactions energy: -940.931 where: short stacking energy: -394.760 Base-Backbone interact. energy: -2.970 local terms energy: -448.021493 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -118.178 flat angles C4'-P-C4' energy: -110.003 flat angles P-C4'-P energy: -60.843 tors. eta vs tors. theta energy: -66.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1144.640332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.640332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.640332 (E_RNA) where: Base-Base interactions energy: -723.248 where: short stacking energy: -322.206 Base-Backbone interact. energy: 0.281 local terms energy: -421.672733 where: bonds (distance) C4'-P energy: -108.362 bonds (distance) P-C4' energy: -111.700 flat angles C4'-P-C4' energy: -99.568 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -37.507 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: 429 Temperature: 0.900000 Total energy: -2577.889577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.889577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.889577 (E_RNA) where: Base-Base interactions energy: -1835.950 where: short stacking energy: -743.169 Base-Backbone interact. energy: -2.610 local terms energy: -739.329743 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -139.163 flat angles C4'-P-C4' energy: -160.563 flat angles P-C4'-P energy: -81.765 tors. eta vs tors. theta energy: -221.139 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: 429 Temperature: 0.950000 Total energy: -2425.823419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.823419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.823419 (E_RNA) where: Base-Base interactions energy: -1702.384 where: short stacking energy: -732.698 Base-Backbone interact. energy: -1.890 local terms energy: -721.549394 where: bonds (distance) C4'-P energy: -123.478 bonds (distance) P-C4' energy: -132.453 flat angles C4'-P-C4' energy: -158.561 flat angles P-C4'-P energy: -106.618 tors. eta vs tors. theta energy: -200.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2347.919332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.919332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.919332 (E_RNA) where: Base-Base interactions energy: -1619.084 where: short stacking energy: -694.507 Base-Backbone interact. energy: -0.738 local terms energy: -728.097066 where: bonds (distance) C4'-P energy: -127.069 bonds (distance) P-C4' energy: -137.638 flat angles C4'-P-C4' energy: -161.313 flat angles P-C4'-P energy: -102.160 tors. eta vs tors. theta energy: -199.916 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: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2265.863851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.863851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.863851 (E_RNA) where: Base-Base interactions energy: -1580.696 where: short stacking energy: -672.112 Base-Backbone interact. energy: 0.269 local terms energy: -685.436753 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -135.536 flat angles C4'-P-C4' energy: -142.936 flat angles P-C4'-P energy: -104.164 tors. eta vs tors. theta energy: -185.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2098.562904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.562904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.562904 (E_RNA) where: Base-Base interactions energy: -1455.257 where: short stacking energy: -611.511 Base-Backbone interact. energy: -0.054 local terms energy: -643.251654 where: bonds (distance) C4'-P energy: -131.797 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -138.451 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -155.293 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: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2030.290402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.290402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.290402 (E_RNA) where: Base-Base interactions energy: -1422.515 where: short stacking energy: -622.393 Base-Backbone interact. energy: -2.579 local terms energy: -605.196071 where: bonds (distance) C4'-P energy: -102.759 bonds (distance) P-C4' energy: -114.223 flat angles C4'-P-C4' energy: -133.388 flat angles P-C4'-P energy: -96.876 tors. eta vs tors. theta energy: -157.950 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: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1864.662729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.662729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.662729 (E_RNA) where: Base-Base interactions energy: -1274.551 where: short stacking energy: -552.599 Base-Backbone interact. energy: -2.362 local terms energy: -587.750423 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -128.241 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -134.109 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1755.644288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.644288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.644288 (E_RNA) where: Base-Base interactions energy: -1219.319 where: short stacking energy: -508.233 Base-Backbone interact. energy: -2.989 local terms energy: -533.336327 where: bonds (distance) C4'-P energy: -118.099 bonds (distance) P-C4' energy: -94.321 flat angles C4'-P-C4' energy: -125.925 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -108.131 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: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1470.436081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.436081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.436081 (E_RNA) where: Base-Base interactions energy: -1006.888 where: short stacking energy: -442.800 Base-Backbone interact. energy: -2.254 local terms energy: -461.294319 where: bonds (distance) C4'-P energy: -107.646 bonds (distance) P-C4' energy: -110.088 flat angles C4'-P-C4' energy: -100.179 flat angles P-C4'-P energy: -68.337 tors. eta vs tors. theta energy: -75.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1177.325157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.325157 (E_RNA) where: Base-Base interactions energy: -768.804 where: short stacking energy: -356.931 Base-Backbone interact. energy: -1.152 local terms energy: -407.369184 where: bonds (distance) C4'-P energy: -85.172 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -110.877 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -43.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2553.576393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.576393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.576393 (E_RNA) where: Base-Base interactions energy: -1828.441 where: short stacking energy: -776.874 Base-Backbone interact. energy: 1.825 local terms energy: -726.959820 where: bonds (distance) C4'-P energy: -132.287 bonds (distance) P-C4' energy: -140.301 flat angles C4'-P-C4' energy: -152.390 flat angles P-C4'-P energy: -90.149 tors. eta vs tors. theta energy: -211.832 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: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2445.001172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.001172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.001172 (E_RNA) where: Base-Base interactions energy: -1695.089 where: short stacking energy: -733.558 Base-Backbone interact. energy: 1.709 local terms energy: -751.621490 where: bonds (distance) C4'-P energy: -138.272 bonds (distance) P-C4' energy: -150.724 flat angles C4'-P-C4' energy: -163.806 flat angles P-C4'-P energy: -95.167 tors. eta vs tors. theta energy: -203.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2367.895183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.895183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.895183 (E_RNA) where: Base-Base interactions energy: -1634.379 where: short stacking energy: -699.385 Base-Backbone interact. energy: 3.286 local terms energy: -736.801369 where: bonds (distance) C4'-P energy: -138.919 bonds (distance) P-C4' energy: -133.603 flat angles C4'-P-C4' energy: -144.497 flat angles P-C4'-P energy: -108.296 tors. eta vs tors. theta energy: -211.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2275.731803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.731803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.731803 (E_RNA) where: Base-Base interactions energy: -1608.273 where: short stacking energy: -678.592 Base-Backbone interact. energy: -3.440 local terms energy: -664.018391 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -155.414 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -173.522 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: 430 Temperature: 1.100000 Total energy: -2083.437772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.437772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.437772 (E_RNA) where: Base-Base interactions energy: -1429.838 where: short stacking energy: -619.132 Base-Backbone interact. energy: -3.355 local terms energy: -650.244094 where: bonds (distance) C4'-P energy: -114.990 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -149.554 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -169.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2043.359034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.359034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.359034 (E_RNA) where: Base-Base interactions energy: -1418.300 where: short stacking energy: -625.445 Base-Backbone interact. energy: -0.589 local terms energy: -626.126513 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -117.767 flat angles C4'-P-C4' energy: -137.767 flat angles P-C4'-P energy: -83.782 tors. eta vs tors. theta energy: -167.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.657 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1889.064435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.064435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.064435 (E_RNA) where: Base-Base interactions energy: -1316.939 where: short stacking energy: -582.943 Base-Backbone interact. energy: 0.339 local terms energy: -572.464607 where: bonds (distance) C4'-P energy: -100.567 bonds (distance) P-C4' energy: -108.863 flat angles C4'-P-C4' energy: -135.064 flat angles P-C4'-P energy: -84.005 tors. eta vs tors. theta energy: -143.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1745.107781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.107781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.107781 (E_RNA) where: Base-Base interactions energy: -1209.904 where: short stacking energy: -497.156 Base-Backbone interact. energy: -1.327 local terms energy: -533.876617 where: bonds (distance) C4'-P energy: -114.917 bonds (distance) P-C4' energy: -99.313 flat angles C4'-P-C4' energy: -115.783 flat angles P-C4'-P energy: -87.637 tors. eta vs tors. theta energy: -116.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1410.705310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.705310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.705310 (E_RNA) where: Base-Base interactions energy: -959.525 where: short stacking energy: -417.281 Base-Backbone interact. energy: -0.911 local terms energy: -450.269818 where: bonds (distance) C4'-P energy: -96.313 bonds (distance) P-C4' energy: -105.390 flat angles C4'-P-C4' energy: -106.064 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -70.242 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: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1179.260758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.260758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.260758 (E_RNA) where: Base-Base interactions energy: -757.001 where: short stacking energy: -342.211 Base-Backbone interact. energy: -3.789 local terms energy: -418.470764 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -108.772 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -49.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2562.208850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.208850 (E_RNA) where: Base-Base interactions energy: -1807.271 where: short stacking energy: -738.639 Base-Backbone interact. energy: -4.320 local terms energy: -750.618034 where: bonds (distance) C4'-P energy: -147.676 bonds (distance) P-C4' energy: -145.706 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -93.882 tors. eta vs tors. theta energy: -208.290 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: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2445.378821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.378821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.378821 (E_RNA) where: Base-Base interactions energy: -1744.351 where: short stacking energy: -748.903 Base-Backbone interact. energy: -1.594 local terms energy: -699.433599 where: bonds (distance) C4'-P energy: -124.234 bonds (distance) P-C4' energy: -126.595 flat angles C4'-P-C4' energy: -154.179 flat angles P-C4'-P energy: -95.477 tors. eta vs tors. theta energy: -198.949 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: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2356.787049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.787049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.787049 (E_RNA) where: Base-Base interactions energy: -1623.748 where: short stacking energy: -711.640 Base-Backbone interact. energy: 0.986 local terms energy: -734.025535 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -151.421 flat angles C4'-P-C4' energy: -149.262 flat angles P-C4'-P energy: -111.724 tors. eta vs tors. theta energy: -199.129 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: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2287.378159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.378159 (E_RNA) where: Base-Base interactions energy: -1613.276 where: short stacking energy: -677.360 Base-Backbone interact. energy: -2.067 local terms energy: -672.034862 where: bonds (distance) C4'-P energy: -119.741 bonds (distance) P-C4' energy: -135.773 flat angles C4'-P-C4' energy: -138.499 flat angles P-C4'-P energy: -91.301 tors. eta vs tors. theta energy: -186.721 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: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2045.808630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.808630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.808630 (E_RNA) where: Base-Base interactions energy: -1416.191 where: short stacking energy: -614.939 Base-Backbone interact. energy: -2.736 local terms energy: -626.882291 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -133.294 flat angles P-C4'-P energy: -94.500 tors. eta vs tors. theta energy: -170.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2016.418008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.418008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.418008 (E_RNA) where: Base-Base interactions energy: -1413.220 where: short stacking energy: -608.733 Base-Backbone interact. energy: -3.266 local terms energy: -599.931843 where: bonds (distance) C4'-P energy: -103.768 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -143.093 flat angles P-C4'-P energy: -71.652 tors. eta vs tors. theta energy: -166.549 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: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1950.412363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.412363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.412363 (E_RNA) where: Base-Base interactions energy: -1389.354 where: short stacking energy: -576.341 Base-Backbone interact. energy: -0.104 local terms energy: -560.953927 where: bonds (distance) C4'-P energy: -114.856 bonds (distance) P-C4' energy: -108.876 flat angles C4'-P-C4' energy: -127.384 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: -138.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1816.083367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.083367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.083367 (E_RNA) where: Base-Base interactions energy: -1278.064 where: short stacking energy: -543.273 Base-Backbone interact. energy: -1.088 local terms energy: -536.930577 where: bonds (distance) C4'-P energy: -115.137 bonds (distance) P-C4' energy: -114.359 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -84.029 tors. eta vs tors. theta energy: -112.785 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: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1463.725849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.725849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.725849 (E_RNA) where: Base-Base interactions energy: -961.845 where: short stacking energy: -409.109 Base-Backbone interact. energy: -2.740 local terms energy: -499.141183 where: bonds (distance) C4'-P energy: -106.372 bonds (distance) P-C4' energy: -123.050 flat angles C4'-P-C4' energy: -118.841 flat angles P-C4'-P energy: -75.089 tors. eta vs tors. theta energy: -75.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1132.277735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.277735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.277735 (E_RNA) where: Base-Base interactions energy: -697.125 where: short stacking energy: -299.941 Base-Backbone interact. energy: -2.171 local terms energy: -432.981056 where: bonds (distance) C4'-P energy: -128.375 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -102.509 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -33.310 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: 432 Temperature: 0.900000 Total energy: -2536.290807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.290807 (E_RNA) where: Base-Base interactions energy: -1784.057 where: short stacking energy: -753.053 Base-Backbone interact. energy: -3.404 local terms energy: -748.829769 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -146.659 flat angles C4'-P-C4' energy: -163.364 flat angles P-C4'-P energy: -98.655 tors. eta vs tors. theta energy: -209.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2449.785856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.785856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.785856 (E_RNA) where: Base-Base interactions energy: -1710.776 where: short stacking energy: -747.654 Base-Backbone interact. energy: -0.483 local terms energy: -738.527133 where: bonds (distance) C4'-P energy: -136.381 bonds (distance) P-C4' energy: -137.219 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -104.284 tors. eta vs tors. theta energy: -211.390 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: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2354.934086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.934086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.934086 (E_RNA) where: Base-Base interactions energy: -1637.239 where: short stacking energy: -722.445 Base-Backbone interact. energy: -1.780 local terms energy: -715.914859 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -152.738 flat angles P-C4'-P energy: -106.820 tors. eta vs tors. theta energy: -207.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2245.976513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.976513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.976513 (E_RNA) where: Base-Base interactions energy: -1591.685 where: short stacking energy: -685.480 Base-Backbone interact. energy: -2.332 local terms energy: -651.958965 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -137.964 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -92.824 tors. eta vs tors. theta energy: -171.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2096.877654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.877654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.877654 (E_RNA) where: Base-Base interactions energy: -1454.769 where: short stacking energy: -647.996 Base-Backbone interact. energy: -1.477 local terms energy: -641.332063 where: bonds (distance) C4'-P energy: -108.964 bonds (distance) P-C4' energy: -123.269 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -91.093 tors. eta vs tors. theta energy: -173.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.701 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2018.150484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.150484 (E_RNA) where: Base-Base interactions energy: -1388.476 where: short stacking energy: -589.244 Base-Backbone interact. energy: -2.272 local terms energy: -627.402677 where: bonds (distance) C4'-P energy: -122.509 bonds (distance) P-C4' energy: -122.496 flat angles C4'-P-C4' energy: -143.931 flat angles P-C4'-P energy: -88.845 tors. eta vs tors. theta energy: -149.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1905.054758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.054758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.054758 (E_RNA) where: Base-Base interactions energy: -1302.842 where: short stacking energy: -546.537 Base-Backbone interact. energy: -2.247 local terms energy: -599.965728 where: bonds (distance) C4'-P energy: -110.749 bonds (distance) P-C4' energy: -135.587 flat angles C4'-P-C4' energy: -130.586 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -141.368 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: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1709.042872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.042872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.042872 (E_RNA) where: Base-Base interactions energy: -1196.565 where: short stacking energy: -499.435 Base-Backbone interact. energy: -0.104 local terms energy: -512.373368 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -107.850 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -113.274 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: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1497.808376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.808376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.808376 (E_RNA) where: Base-Base interactions energy: -995.926 where: short stacking energy: -444.828 Base-Backbone interact. energy: 0.570 local terms energy: -502.451748 where: bonds (distance) C4'-P energy: -111.743 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -115.830 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: -78.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1187.721758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.721758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.721758 (E_RNA) where: Base-Base interactions energy: -758.920 where: short stacking energy: -328.682 Base-Backbone interact. energy: 1.931 local terms energy: -430.732568 where: bonds (distance) C4'-P energy: -113.006 bonds (distance) P-C4' energy: -122.511 flat angles C4'-P-C4' energy: -98.629 flat angles P-C4'-P energy: -61.556 tors. eta vs tors. theta energy: -35.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2542.602026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.602026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.602026 (E_RNA) where: Base-Base interactions energy: -1782.305 where: short stacking energy: -753.465 Base-Backbone interact. energy: -1.667 local terms energy: -758.629460 where: bonds (distance) C4'-P energy: -130.150 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -164.078 flat angles P-C4'-P energy: -97.691 tors. eta vs tors. theta energy: -213.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2406.128838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.128838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.128838 (E_RNA) where: Base-Base interactions energy: -1686.507 where: short stacking energy: -747.937 Base-Backbone interact. energy: -2.003 local terms energy: -717.618742 where: bonds (distance) C4'-P energy: -140.271 bonds (distance) P-C4' energy: -128.155 flat angles C4'-P-C4' energy: -152.776 flat angles P-C4'-P energy: -103.338 tors. eta vs tors. theta energy: -193.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2331.454296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.454296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.454296 (E_RNA) where: Base-Base interactions energy: -1601.500 where: short stacking energy: -684.787 Base-Backbone interact. energy: -1.863 local terms energy: -728.090534 where: bonds (distance) C4'-P energy: -128.737 bonds (distance) P-C4' energy: -147.865 flat angles C4'-P-C4' energy: -152.468 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -197.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2233.234525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.234525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.234525 (E_RNA) where: Base-Base interactions energy: -1562.244 where: short stacking energy: -660.591 Base-Backbone interact. energy: -1.672 local terms energy: -669.318728 where: bonds (distance) C4'-P energy: -119.231 bonds (distance) P-C4' energy: -134.926 flat angles C4'-P-C4' energy: -151.309 flat angles P-C4'-P energy: -85.547 tors. eta vs tors. theta energy: -178.305 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2083.158662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.158662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.158662 (E_RNA) where: Base-Base interactions energy: -1426.751 where: short stacking energy: -629.242 Base-Backbone interact. energy: -1.693 local terms energy: -654.714682 where: bonds (distance) C4'-P energy: -120.463 bonds (distance) P-C4' energy: -131.861 flat angles C4'-P-C4' energy: -130.709 flat angles P-C4'-P energy: -100.364 tors. eta vs tors. theta energy: -171.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2001.936001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.936001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.936001 (E_RNA) where: Base-Base interactions energy: -1396.944 where: short stacking energy: -586.577 Base-Backbone interact. energy: -0.689 local terms energy: -604.303370 where: bonds (distance) C4'-P energy: -123.749 bonds (distance) P-C4' energy: -112.193 flat angles C4'-P-C4' energy: -124.415 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -145.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1853.749405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.749405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.749405 (E_RNA) where: Base-Base interactions energy: -1273.804 where: short stacking energy: -540.190 Base-Backbone interact. energy: -0.816 local terms energy: -579.129804 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -122.383 flat angles C4'-P-C4' energy: -122.201 flat angles P-C4'-P energy: -64.402 tors. eta vs tors. theta energy: -144.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1779.078694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.078694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.078694 (E_RNA) where: Base-Base interactions energy: -1248.471 where: short stacking energy: -517.981 Base-Backbone interact. energy: -1.986 local terms energy: -528.621198 where: bonds (distance) C4'-P energy: -129.529 bonds (distance) P-C4' energy: -110.186 flat angles C4'-P-C4' energy: -123.996 flat angles P-C4'-P energy: -73.226 tors. eta vs tors. theta energy: -91.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1493.710374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.710374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.710374 (E_RNA) where: Base-Base interactions energy: -1024.431 where: short stacking energy: -431.769 Base-Backbone interact. energy: 0.625 local terms energy: -469.904480 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -113.041 flat angles C4'-P-C4' energy: -116.092 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -89.481 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: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1137.716484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.716484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.716484 (E_RNA) where: Base-Base interactions energy: -715.038 where: short stacking energy: -341.999 Base-Backbone interact. energy: 1.579 local terms energy: -424.258209 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -117.224 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -58.408 tors. eta vs tors. theta energy: -35.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2528.098883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.098883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.098883 (E_RNA) where: Base-Base interactions energy: -1784.187 where: short stacking energy: -738.198 Base-Backbone interact. energy: 0.365 local terms energy: -744.277209 where: bonds (distance) C4'-P energy: -131.071 bonds (distance) P-C4' energy: -145.557 flat angles C4'-P-C4' energy: -155.387 flat angles P-C4'-P energy: -99.156 tors. eta vs tors. theta energy: -213.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2413.838973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.838973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.838973 (E_RNA) where: Base-Base interactions energy: -1697.320 where: short stacking energy: -733.479 Base-Backbone interact. energy: -2.443 local terms energy: -714.076148 where: bonds (distance) C4'-P energy: -126.112 bonds (distance) P-C4' energy: -139.589 flat angles C4'-P-C4' energy: -143.307 flat angles P-C4'-P energy: -97.933 tors. eta vs tors. theta energy: -207.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2347.227997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.227997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.227997 (E_RNA) where: Base-Base interactions energy: -1643.944 where: short stacking energy: -722.391 Base-Backbone interact. energy: -3.977 local terms energy: -699.307496 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -130.375 flat angles C4'-P-C4' energy: -142.482 flat angles P-C4'-P energy: -96.310 tors. eta vs tors. theta energy: -210.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2205.341313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.341313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.341313 (E_RNA) where: Base-Base interactions energy: -1511.249 where: short stacking energy: -640.081 Base-Backbone interact. energy: -2.852 local terms energy: -691.941805 where: bonds (distance) C4'-P energy: -110.725 bonds (distance) P-C4' energy: -146.442 flat angles C4'-P-C4' energy: -151.344 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -184.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.702 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2098.111928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.111928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.111928 (E_RNA) where: Base-Base interactions energy: -1449.727 where: short stacking energy: -642.365 Base-Backbone interact. energy: -1.546 local terms energy: -646.838641 where: bonds (distance) C4'-P energy: -106.040 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -94.457 tors. eta vs tors. theta energy: -175.589 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: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2028.629301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.629301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.629301 (E_RNA) where: Base-Base interactions energy: -1395.656 where: short stacking energy: -596.803 Base-Backbone interact. energy: -3.821 local terms energy: -629.152315 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -121.173 flat angles C4'-P-C4' energy: -133.782 flat angles P-C4'-P energy: -94.822 tors. eta vs tors. theta energy: -161.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1854.877626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.877626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.877626 (E_RNA) where: Base-Base interactions energy: -1303.194 where: short stacking energy: -536.663 Base-Backbone interact. energy: -6.151 local terms energy: -545.532882 where: bonds (distance) C4'-P energy: -118.787 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -118.938 flat angles P-C4'-P energy: -76.233 tors. eta vs tors. theta energy: -124.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1751.756966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.756966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.756966 (E_RNA) where: Base-Base interactions energy: -1218.465 where: short stacking energy: -518.849 Base-Backbone interact. energy: -1.518 local terms energy: -531.773766 where: bonds (distance) C4'-P energy: -118.486 bonds (distance) P-C4' energy: -102.373 flat angles C4'-P-C4' energy: -110.444 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -122.846 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: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1470.030082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.030082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.030082 (E_RNA) where: Base-Base interactions energy: -1006.701 where: short stacking energy: -439.366 Base-Backbone interact. energy: -2.872 local terms energy: -460.456970 where: bonds (distance) C4'-P energy: -98.128 bonds (distance) P-C4' energy: -101.637 flat angles C4'-P-C4' energy: -111.353 flat angles P-C4'-P energy: -68.761 tors. eta vs tors. theta energy: -80.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1189.501162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.501162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.501162 (E_RNA) where: Base-Base interactions energy: -747.345 where: short stacking energy: -350.813 Base-Backbone interact. energy: -1.185 local terms energy: -440.971589 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -110.150 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -34.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2501.363216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.363216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.363216 (E_RNA) where: Base-Base interactions energy: -1739.574 where: short stacking energy: -728.543 Base-Backbone interact. energy: -3.549 local terms energy: -758.240558 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -136.728 flat angles C4'-P-C4' energy: -159.369 flat angles P-C4'-P energy: -109.729 tors. eta vs tors. theta energy: -215.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2418.254211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.254211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.254211 (E_RNA) where: Base-Base interactions energy: -1707.377 where: short stacking energy: -748.400 Base-Backbone interact. energy: 0.129 local terms energy: -711.006759 where: bonds (distance) C4'-P energy: -132.541 bonds (distance) P-C4' energy: -121.814 flat angles C4'-P-C4' energy: -155.582 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -194.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2380.385633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.385633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.385633 (E_RNA) where: Base-Base interactions energy: -1675.794 where: short stacking energy: -711.326 Base-Backbone interact. energy: -1.311 local terms energy: -703.280610 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -139.157 flat angles C4'-P-C4' energy: -144.083 flat angles P-C4'-P energy: -98.796 tors. eta vs tors. theta energy: -204.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2264.200373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.200373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.200373 (E_RNA) where: Base-Base interactions energy: -1603.010 where: short stacking energy: -676.539 Base-Backbone interact. energy: -0.978 local terms energy: -660.212496 where: bonds (distance) C4'-P energy: -113.898 bonds (distance) P-C4' energy: -127.308 flat angles C4'-P-C4' energy: -143.037 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -176.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2089.525009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.525009 (E_RNA) where: Base-Base interactions energy: -1412.868 where: short stacking energy: -616.374 Base-Backbone interact. energy: -1.446 local terms energy: -675.210455 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -132.487 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -165.923 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: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2000.440304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.440304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.440304 (E_RNA) where: Base-Base interactions energy: -1390.543 where: short stacking energy: -588.068 Base-Backbone interact. energy: 0.671 local terms energy: -610.567862 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -97.347 flat angles C4'-P-C4' energy: -140.687 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -155.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1828.700145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.700145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.700145 (E_RNA) where: Base-Base interactions energy: -1254.855 where: short stacking energy: -549.991 Base-Backbone interact. energy: 0.189 local terms energy: -574.033993 where: bonds (distance) C4'-P energy: -131.253 bonds (distance) P-C4' energy: -122.312 flat angles C4'-P-C4' energy: -124.575 flat angles P-C4'-P energy: -77.395 tors. eta vs tors. theta energy: -118.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1683.507597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.507597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.507597 (E_RNA) where: Base-Base interactions energy: -1147.873 where: short stacking energy: -493.967 Base-Backbone interact. energy: 7.204 local terms energy: -542.838885 where: bonds (distance) C4'-P energy: -104.318 bonds (distance) P-C4' energy: -126.530 flat angles C4'-P-C4' energy: -126.194 flat angles P-C4'-P energy: -74.229 tors. eta vs tors. theta energy: -111.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1354.249229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.249229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.249229 (E_RNA) where: Base-Base interactions energy: -909.097 where: short stacking energy: -415.295 Base-Backbone interact. energy: -0.272 local terms energy: -444.880550 where: bonds (distance) C4'-P energy: -98.599 bonds (distance) P-C4' energy: -104.002 flat angles C4'-P-C4' energy: -119.540 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -69.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1152.498436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.498436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.498436 (E_RNA) where: Base-Base interactions energy: -728.070 where: short stacking energy: -344.097 Base-Backbone interact. energy: 2.184 local terms energy: -426.612777 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -85.735 flat angles C4'-P-C4' energy: -102.393 flat angles P-C4'-P energy: -61.383 tors. eta vs tors. theta energy: -53.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2523.016075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.016075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.016075 (E_RNA) where: Base-Base interactions energy: -1778.498 where: short stacking energy: -728.840 Base-Backbone interact. energy: -1.250 local terms energy: -743.267697 where: bonds (distance) C4'-P energy: -127.084 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -150.490 flat angles P-C4'-P energy: -113.003 tors. eta vs tors. theta energy: -203.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2442.714138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.714138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.714138 (E_RNA) where: Base-Base interactions energy: -1722.641 where: short stacking energy: -769.018 Base-Backbone interact. energy: 0.311 local terms energy: -720.383626 where: bonds (distance) C4'-P energy: -124.894 bonds (distance) P-C4' energy: -140.021 flat angles C4'-P-C4' energy: -155.836 flat angles P-C4'-P energy: -90.730 tors. eta vs tors. theta energy: -208.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2381.797080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.797080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.797080 (E_RNA) where: Base-Base interactions energy: -1673.100 where: short stacking energy: -698.584 Base-Backbone interact. energy: -1.643 local terms energy: -707.054904 where: bonds (distance) C4'-P energy: -127.087 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -150.975 flat angles P-C4'-P energy: -108.562 tors. eta vs tors. theta energy: -195.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2256.563634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.563634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.563634 (E_RNA) where: Base-Base interactions energy: -1555.943 where: short stacking energy: -696.757 Base-Backbone interact. energy: -1.364 local terms energy: -699.256498 where: bonds (distance) C4'-P energy: -134.109 bonds (distance) P-C4' energy: -130.831 flat angles C4'-P-C4' energy: -137.986 flat angles P-C4'-P energy: -95.609 tors. eta vs tors. theta energy: -200.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2131.479933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.479933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.479933 (E_RNA) where: Base-Base interactions energy: -1492.569 where: short stacking energy: -689.224 Base-Backbone interact. energy: -2.438 local terms energy: -636.472938 where: bonds (distance) C4'-P energy: -112.228 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -76.922 tors. eta vs tors. theta energy: -175.661 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1968.400231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.400231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.400231 (E_RNA) where: Base-Base interactions energy: -1373.587 where: short stacking energy: -615.711 Base-Backbone interact. energy: -1.147 local terms energy: -593.666412 where: bonds (distance) C4'-P energy: -126.791 bonds (distance) P-C4' energy: -114.823 flat angles C4'-P-C4' energy: -127.313 flat angles P-C4'-P energy: -73.040 tors. eta vs tors. theta energy: -151.699 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: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1887.837673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.837673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.837673 (E_RNA) where: Base-Base interactions energy: -1326.814 where: short stacking energy: -551.358 Base-Backbone interact. energy: -2.866 local terms energy: -558.157912 where: bonds (distance) C4'-P energy: -99.165 bonds (distance) P-C4' energy: -121.183 flat angles C4'-P-C4' energy: -132.475 flat angles P-C4'-P energy: -76.012 tors. eta vs tors. theta energy: -129.323 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: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1647.387916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.387916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.387916 (E_RNA) where: Base-Base interactions energy: -1128.421 where: short stacking energy: -487.490 Base-Backbone interact. energy: -1.437 local terms energy: -517.529318 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -106.304 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -81.180 tors. eta vs tors. theta energy: -86.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1448.049351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.049351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.049351 (E_RNA) where: Base-Base interactions energy: -960.869 where: short stacking energy: -440.857 Base-Backbone interact. energy: -0.910 local terms energy: -486.270441 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -110.827 flat angles C4'-P-C4' energy: -91.392 flat angles P-C4'-P energy: -83.535 tors. eta vs tors. theta energy: -87.117 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: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1145.074139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.074139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.074139 (E_RNA) where: Base-Base interactions energy: -746.889 where: short stacking energy: -348.900 Base-Backbone interact. energy: -0.435 local terms energy: -397.750239 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -108.569 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -38.962 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2521.758834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.758834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.758834 (E_RNA) where: Base-Base interactions energy: -1773.893 where: short stacking energy: -760.758 Base-Backbone interact. energy: -2.262 local terms energy: -745.603441 where: bonds (distance) C4'-P energy: -136.591 bonds (distance) P-C4' energy: -135.591 flat angles C4'-P-C4' energy: -160.066 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -217.794 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: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2394.853901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.853901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.853901 (E_RNA) where: Base-Base interactions energy: -1670.657 where: short stacking energy: -707.963 Base-Backbone interact. energy: -2.933 local terms energy: -721.263640 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -137.280 flat angles C4'-P-C4' energy: -157.617 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -200.274 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: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2370.421059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.421059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.421059 (E_RNA) where: Base-Base interactions energy: -1648.741 where: short stacking energy: -733.799 Base-Backbone interact. energy: -1.591 local terms energy: -720.088293 where: bonds (distance) C4'-P energy: -124.466 bonds (distance) P-C4' energy: -128.387 flat angles C4'-P-C4' energy: -152.633 flat angles P-C4'-P energy: -103.633 tors. eta vs tors. theta energy: -210.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2229.977019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.977019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.977019 (E_RNA) where: Base-Base interactions energy: -1527.451 where: short stacking energy: -677.166 Base-Backbone interact. energy: 0.288 local terms energy: -702.813775 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -136.908 flat angles C4'-P-C4' energy: -148.971 flat angles P-C4'-P energy: -110.027 tors. eta vs tors. theta energy: -183.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2098.206741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.206741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.206741 (E_RNA) where: Base-Base interactions energy: -1432.462 where: short stacking energy: -622.049 Base-Backbone interact. energy: 0.051 local terms energy: -665.795916 where: bonds (distance) C4'-P energy: -124.500 bonds (distance) P-C4' energy: -128.243 flat angles C4'-P-C4' energy: -155.985 flat angles P-C4'-P energy: -95.626 tors. eta vs tors. theta energy: -161.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2008.473968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.473968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.473968 (E_RNA) where: Base-Base interactions energy: -1374.138 where: short stacking energy: -592.330 Base-Backbone interact. energy: -3.237 local terms energy: -631.098807 where: bonds (distance) C4'-P energy: -133.327 bonds (distance) P-C4' energy: -113.513 flat angles C4'-P-C4' energy: -132.230 flat angles P-C4'-P energy: -84.046 tors. eta vs tors. theta energy: -167.983 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: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1917.613364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.613364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.613364 (E_RNA) where: Base-Base interactions energy: -1338.391 where: short stacking energy: -564.709 Base-Backbone interact. energy: -0.059 local terms energy: -579.163921 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -140.634 flat angles P-C4'-P energy: -80.917 tors. eta vs tors. theta energy: -137.384 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: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1688.880828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.880828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.880828 (E_RNA) where: Base-Base interactions energy: -1169.037 where: short stacking energy: -520.471 Base-Backbone interact. energy: -0.675 local terms energy: -519.168154 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -121.532 flat angles C4'-P-C4' energy: -123.493 flat angles P-C4'-P energy: -87.899 tors. eta vs tors. theta energy: -99.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1480.186114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.186114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.186114 (E_RNA) where: Base-Base interactions energy: -1036.946 where: short stacking energy: -435.058 Base-Backbone interact. energy: 3.282 local terms energy: -446.522180 where: bonds (distance) C4'-P energy: -94.832 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -122.328 flat angles P-C4'-P energy: -57.506 tors. eta vs tors. theta energy: -62.279 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: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1201.502750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.502750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.502750 (E_RNA) where: Base-Base interactions energy: -775.821 where: short stacking energy: -345.760 Base-Backbone interact. energy: 2.247 local terms energy: -427.928819 where: bonds (distance) C4'-P energy: -104.862 bonds (distance) P-C4' energy: -98.617 flat angles C4'-P-C4' energy: -108.301 flat angles P-C4'-P energy: -62.965 tors. eta vs tors. theta energy: -53.184 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: 438 Temperature: 0.900000 Total energy: -2507.480298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.480298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.480298 (E_RNA) where: Base-Base interactions energy: -1773.909 where: short stacking energy: -748.545 Base-Backbone interact. energy: -3.664 local terms energy: -729.907188 where: bonds (distance) C4'-P energy: -116.896 bonds (distance) P-C4' energy: -146.223 flat angles C4'-P-C4' energy: -160.393 flat angles P-C4'-P energy: -97.460 tors. eta vs tors. theta energy: -208.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2391.718694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.718694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.718694 (E_RNA) where: Base-Base interactions energy: -1642.512 where: short stacking energy: -739.323 Base-Backbone interact. energy: -1.689 local terms energy: -747.517771 where: bonds (distance) C4'-P energy: -133.459 bonds (distance) P-C4' energy: -138.418 flat angles C4'-P-C4' energy: -158.298 flat angles P-C4'-P energy: -108.647 tors. eta vs tors. theta energy: -208.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2389.849346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.849346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.849346 (E_RNA) where: Base-Base interactions energy: -1674.347 where: short stacking energy: -733.116 Base-Backbone interact. energy: -3.626 local terms energy: -711.876298 where: bonds (distance) C4'-P energy: -112.903 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -162.634 flat angles P-C4'-P energy: -97.874 tors. eta vs tors. theta energy: -205.354 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: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2215.174370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.174370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.174370 (E_RNA) where: Base-Base interactions energy: -1552.573 where: short stacking energy: -674.330 Base-Backbone interact. energy: -0.854 local terms energy: -661.747881 where: bonds (distance) C4'-P energy: -130.031 bonds (distance) P-C4' energy: -130.031 flat angles C4'-P-C4' energy: -135.331 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -170.714 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2120.437262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.437262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.437262 (E_RNA) where: Base-Base interactions energy: -1464.305 where: short stacking energy: -621.113 Base-Backbone interact. energy: 2.025 local terms energy: -658.157181 where: bonds (distance) C4'-P energy: -127.614 bonds (distance) P-C4' energy: -122.301 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -97.942 tors. eta vs tors. theta energy: -163.471 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: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1939.957961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.957961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.957961 (E_RNA) where: Base-Base interactions energy: -1366.915 where: short stacking energy: -572.560 Base-Backbone interact. energy: -1.972 local terms energy: -571.070677 where: bonds (distance) C4'-P energy: -118.699 bonds (distance) P-C4' energy: -109.121 flat angles C4'-P-C4' energy: -128.150 flat angles P-C4'-P energy: -89.171 tors. eta vs tors. theta energy: -125.931 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: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1875.319755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.319755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.319755 (E_RNA) where: Base-Base interactions energy: -1327.199 where: short stacking energy: -553.650 Base-Backbone interact. energy: -1.000 local terms energy: -547.121003 where: bonds (distance) C4'-P energy: -87.910 bonds (distance) P-C4' energy: -116.068 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -139.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1640.183261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.183261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.183261 (E_RNA) where: Base-Base interactions energy: -1128.546 where: short stacking energy: -488.221 Base-Backbone interact. energy: 0.238 local terms energy: -511.875046 where: bonds (distance) C4'-P energy: -100.163 bonds (distance) P-C4' energy: -121.780 flat angles C4'-P-C4' energy: -120.785 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -97.470 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: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1453.556334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.556334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.556334 (E_RNA) where: Base-Base interactions energy: -970.603 where: short stacking energy: -408.889 Base-Backbone interact. energy: 2.033 local terms energy: -484.986885 where: bonds (distance) C4'-P energy: -102.428 bonds (distance) P-C4' energy: -100.672 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -96.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1184.841855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.841855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.841855 (E_RNA) where: Base-Base interactions energy: -769.145 where: short stacking energy: -344.840 Base-Backbone interact. energy: -1.787 local terms energy: -413.910489 where: bonds (distance) C4'-P energy: -104.133 bonds (distance) P-C4' energy: -126.567 flat angles C4'-P-C4' energy: -93.441 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -37.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2537.467802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.467802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.467802 (E_RNA) where: Base-Base interactions energy: -1780.894 where: short stacking energy: -736.739 Base-Backbone interact. energy: -2.971 local terms energy: -753.602830 where: bonds (distance) C4'-P energy: -135.804 bonds (distance) P-C4' energy: -142.627 flat angles C4'-P-C4' energy: -155.226 flat angles P-C4'-P energy: -111.741 tors. eta vs tors. theta energy: -208.204 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: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2399.684719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.684719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.684719 (E_RNA) where: Base-Base interactions energy: -1650.052 where: short stacking energy: -722.928 Base-Backbone interact. energy: -1.724 local terms energy: -747.907897 where: bonds (distance) C4'-P energy: -140.501 bonds (distance) P-C4' energy: -131.244 flat angles C4'-P-C4' energy: -156.834 flat angles P-C4'-P energy: -107.593 tors. eta vs tors. theta energy: -211.737 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: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2379.780270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.780270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.780270 (E_RNA) where: Base-Base interactions energy: -1693.700 where: short stacking energy: -731.134 Base-Backbone interact. energy: -2.047 local terms energy: -684.033250 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -119.376 flat angles C4'-P-C4' energy: -143.009 flat angles P-C4'-P energy: -87.855 tors. eta vs tors. theta energy: -209.410 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: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2248.619902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.619902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.619902 (E_RNA) where: Base-Base interactions energy: -1559.514 where: short stacking energy: -700.270 Base-Backbone interact. energy: -4.803 local terms energy: -684.303053 where: bonds (distance) C4'-P energy: -108.663 bonds (distance) P-C4' energy: -137.752 flat angles C4'-P-C4' energy: -155.566 flat angles P-C4'-P energy: -96.801 tors. eta vs tors. theta energy: -185.521 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: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2068.689853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.689853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.689853 (E_RNA) where: Base-Base interactions energy: -1433.992 where: short stacking energy: -622.311 Base-Backbone interact. energy: 1.574 local terms energy: -636.271695 where: bonds (distance) C4'-P energy: -115.750 bonds (distance) P-C4' energy: -122.945 flat angles C4'-P-C4' energy: -133.139 flat angles P-C4'-P energy: -95.165 tors. eta vs tors. theta energy: -169.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1967.176093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.176093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.176093 (E_RNA) where: Base-Base interactions energy: -1359.778 where: short stacking energy: -595.822 Base-Backbone interact. energy: 0.987 local terms energy: -609.109854 where: bonds (distance) C4'-P energy: -113.376 bonds (distance) P-C4' energy: -123.568 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -145.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.725 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1904.701438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.701438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.701438 (E_RNA) where: Base-Base interactions energy: -1318.106 where: short stacking energy: -541.855 Base-Backbone interact. energy: -2.383 local terms energy: -584.212751 where: bonds (distance) C4'-P energy: -109.523 bonds (distance) P-C4' energy: -120.268 flat angles C4'-P-C4' energy: -135.269 flat angles P-C4'-P energy: -85.477 tors. eta vs tors. theta energy: -133.675 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: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1668.743584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.743584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.743584 (E_RNA) where: Base-Base interactions energy: -1132.224 where: short stacking energy: -453.349 Base-Backbone interact. energy: -1.103 local terms energy: -535.415869 where: bonds (distance) C4'-P energy: -110.707 bonds (distance) P-C4' energy: -142.972 flat angles C4'-P-C4' energy: -119.648 flat angles P-C4'-P energy: -74.878 tors. eta vs tors. theta energy: -87.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1502.839452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.839452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.839452 (E_RNA) where: Base-Base interactions energy: -1034.289 where: short stacking energy: -444.265 Base-Backbone interact. energy: 0.475 local terms energy: -469.024879 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -111.748 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -79.169 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: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1201.082119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.082119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.082119 (E_RNA) where: Base-Base interactions energy: -757.774 where: short stacking energy: -364.569 Base-Backbone interact. energy: -5.289 local terms energy: -438.018863 where: bonds (distance) C4'-P energy: -94.958 bonds (distance) P-C4' energy: -113.276 flat angles C4'-P-C4' energy: -98.117 flat angles P-C4'-P energy: -82.147 tors. eta vs tors. theta energy: -49.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2494.747655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.747655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.747655 (E_RNA) where: Base-Base interactions energy: -1767.316 where: short stacking energy: -730.100 Base-Backbone interact. energy: -3.903 local terms energy: -723.528875 where: bonds (distance) C4'-P energy: -140.558 bonds (distance) P-C4' energy: -132.111 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -92.553 tors. eta vs tors. theta energy: -208.076 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: 440 Temperature: 0.950000 Total energy: -2404.951380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.951380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.951380 (E_RNA) where: Base-Base interactions energy: -1662.439 where: short stacking energy: -743.932 Base-Backbone interact. energy: -1.437 local terms energy: -741.075552 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -133.705 flat angles C4'-P-C4' energy: -155.429 flat angles P-C4'-P energy: -113.413 tors. eta vs tors. theta energy: -208.232 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: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2413.471296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.471296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.471296 (E_RNA) where: Base-Base interactions energy: -1680.404 where: short stacking energy: -715.203 Base-Backbone interact. energy: -1.802 local terms energy: -731.265413 where: bonds (distance) C4'-P energy: -134.647 bonds (distance) P-C4' energy: -142.307 flat angles C4'-P-C4' energy: -159.636 flat angles P-C4'-P energy: -91.796 tors. eta vs tors. theta energy: -202.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2204.236842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.236842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.236842 (E_RNA) where: Base-Base interactions energy: -1543.135 where: short stacking energy: -633.108 Base-Backbone interact. energy: -0.761 local terms energy: -660.340877 where: bonds (distance) C4'-P energy: -119.593 bonds (distance) P-C4' energy: -123.257 flat angles C4'-P-C4' energy: -149.739 flat angles P-C4'-P energy: -97.480 tors. eta vs tors. theta energy: -170.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2097.656022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.656022 (E_RNA) where: Base-Base interactions energy: -1451.690 where: short stacking energy: -652.530 Base-Backbone interact. energy: -4.210 local terms energy: -641.755499 where: bonds (distance) C4'-P energy: -104.223 bonds (distance) P-C4' energy: -130.849 flat angles C4'-P-C4' energy: -142.477 flat angles P-C4'-P energy: -95.037 tors. eta vs tors. theta energy: -169.170 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: 440 Temperature: 1.150000 Total energy: -1976.287727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.287727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.287727 (E_RNA) where: Base-Base interactions energy: -1375.573 where: short stacking energy: -601.955 Base-Backbone interact. energy: -0.013 local terms energy: -600.702187 where: bonds (distance) C4'-P energy: -114.455 bonds (distance) P-C4' energy: -118.849 flat angles C4'-P-C4' energy: -142.774 flat angles P-C4'-P energy: -77.529 tors. eta vs tors. theta energy: -147.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1937.601661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.601661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.601661 (E_RNA) where: Base-Base interactions energy: -1354.824 where: short stacking energy: -580.609 Base-Backbone interact. energy: 0.851 local terms energy: -583.628872 where: bonds (distance) C4'-P energy: -114.452 bonds (distance) P-C4' energy: -120.979 flat angles C4'-P-C4' energy: -122.353 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: -146.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1663.868437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.868437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.868437 (E_RNA) where: Base-Base interactions energy: -1126.609 where: short stacking energy: -481.864 Base-Backbone interact. energy: -2.667 local terms energy: -534.592608 where: bonds (distance) C4'-P energy: -131.949 bonds (distance) P-C4' energy: -115.990 flat angles C4'-P-C4' energy: -104.634 flat angles P-C4'-P energy: -93.056 tors. eta vs tors. theta energy: -88.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1570.044455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.044455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.044455 (E_RNA) where: Base-Base interactions energy: -1091.887 where: short stacking energy: -457.349 Base-Backbone interact. energy: 0.356 local terms energy: -478.513188 where: bonds (distance) C4'-P energy: -99.066 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -86.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1131.889140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.889140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.889140 (E_RNA) where: Base-Base interactions energy: -723.225 where: short stacking energy: -315.327 Base-Backbone interact. energy: 10.551 local terms energy: -419.215308 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -113.342 flat angles C4'-P-C4' energy: -117.484 flat angles P-C4'-P energy: -50.383 tors. eta vs tors. theta energy: -36.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2520.162676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.162676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.162676 (E_RNA) where: Base-Base interactions energy: -1755.432 where: short stacking energy: -710.865 Base-Backbone interact. energy: -1.857 local terms energy: -762.873626 where: bonds (distance) C4'-P energy: -144.239 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -158.267 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -214.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2457.722799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.722799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.722799 (E_RNA) where: Base-Base interactions energy: -1715.502 where: short stacking energy: -746.442 Base-Backbone interact. energy: -0.601 local terms energy: -741.619848 where: bonds (distance) C4'-P energy: -136.467 bonds (distance) P-C4' energy: -132.256 flat angles C4'-P-C4' energy: -165.836 flat angles P-C4'-P energy: -98.281 tors. eta vs tors. theta energy: -208.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2352.119345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.119345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.119345 (E_RNA) where: Base-Base interactions energy: -1636.283 where: short stacking energy: -721.272 Base-Backbone interact. energy: -2.001 local terms energy: -713.835207 where: bonds (distance) C4'-P energy: -120.602 bonds (distance) P-C4' energy: -125.344 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -104.571 tors. eta vs tors. theta energy: -214.596 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: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2201.580579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.580579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.580579 (E_RNA) where: Base-Base interactions energy: -1513.669 where: short stacking energy: -654.870 Base-Backbone interact. energy: -1.071 local terms energy: -686.840682 where: bonds (distance) C4'-P energy: -133.787 bonds (distance) P-C4' energy: -135.998 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -105.053 tors. eta vs tors. theta energy: -163.192 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: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2081.344863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.344863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.344863 (E_RNA) where: Base-Base interactions energy: -1442.274 where: short stacking energy: -627.607 Base-Backbone interact. energy: -2.712 local terms energy: -636.359429 where: bonds (distance) C4'-P energy: -122.575 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -152.394 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -145.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2052.724848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.724848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.724848 (E_RNA) where: Base-Base interactions energy: -1419.953 where: short stacking energy: -609.489 Base-Backbone interact. energy: 1.154 local terms energy: -633.926383 where: bonds (distance) C4'-P energy: -117.687 bonds (distance) P-C4' energy: -135.274 flat angles C4'-P-C4' energy: -129.638 flat angles P-C4'-P energy: -94.750 tors. eta vs tors. theta energy: -156.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1951.190464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.190464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.190464 (E_RNA) where: Base-Base interactions energy: -1358.167 where: short stacking energy: -582.588 Base-Backbone interact. energy: -0.961 local terms energy: -592.062661 where: bonds (distance) C4'-P energy: -107.114 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -121.526 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -158.373 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: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1624.438092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.438092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.438092 (E_RNA) where: Base-Base interactions energy: -1141.134 where: short stacking energy: -503.158 Base-Backbone interact. energy: -2.129 local terms energy: -481.175379 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -93.646 flat angles C4'-P-C4' energy: -128.260 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -111.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1601.518686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.518686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.518686 (E_RNA) where: Base-Base interactions energy: -1128.554 where: short stacking energy: -461.808 Base-Backbone interact. energy: -3.373 local terms energy: -469.590851 where: bonds (distance) C4'-P energy: -108.760 bonds (distance) P-C4' energy: -87.173 flat angles C4'-P-C4' energy: -100.141 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -93.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1195.591807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.591807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.591807 (E_RNA) where: Base-Base interactions energy: -748.893 where: short stacking energy: -343.167 Base-Backbone interact. energy: -1.162 local terms energy: -445.536899 where: bonds (distance) C4'-P energy: -105.409 bonds (distance) P-C4' energy: -108.149 flat angles C4'-P-C4' energy: -117.354 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -45.968 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: 442 Temperature: 0.900000 Total energy: -2512.605376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.605376 (E_RNA) where: Base-Base interactions energy: -1784.920 where: short stacking energy: -752.499 Base-Backbone interact. energy: -3.695 local terms energy: -723.991007 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -153.515 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -195.156 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: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2456.196837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.196837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.196837 (E_RNA) where: Base-Base interactions energy: -1706.814 where: short stacking energy: -759.770 Base-Backbone interact. energy: -2.994 local terms energy: -746.388528 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -150.769 flat angles P-C4'-P energy: -109.066 tors. eta vs tors. theta energy: -215.551 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: 9 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2370.764519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.764519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.764519 (E_RNA) where: Base-Base interactions energy: -1633.861 where: short stacking energy: -738.208 Base-Backbone interact. energy: -4.429 local terms energy: -732.474728 where: bonds (distance) C4'-P energy: -142.867 bonds (distance) P-C4' energy: -139.866 flat angles C4'-P-C4' energy: -150.925 flat angles P-C4'-P energy: -102.270 tors. eta vs tors. theta energy: -196.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2217.137944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.137944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.137944 (E_RNA) where: Base-Base interactions energy: -1528.882 where: short stacking energy: -663.201 Base-Backbone interact. energy: -2.756 local terms energy: -685.500042 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -136.514 flat angles C4'-P-C4' energy: -146.481 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -178.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2106.622301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.622301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.622301 (E_RNA) where: Base-Base interactions energy: -1457.174 where: short stacking energy: -629.739 Base-Backbone interact. energy: -3.559 local terms energy: -645.891420 where: bonds (distance) C4'-P energy: -125.541 bonds (distance) P-C4' energy: -138.176 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -84.949 tors. eta vs tors. theta energy: -160.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.002 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2008.034069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.034069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.034069 (E_RNA) where: Base-Base interactions energy: -1382.280 where: short stacking energy: -582.040 Base-Backbone interact. energy: -2.199 local terms energy: -623.555325 where: bonds (distance) C4'-P energy: -125.614 bonds (distance) P-C4' energy: -124.013 flat angles C4'-P-C4' energy: -129.039 flat angles P-C4'-P energy: -99.274 tors. eta vs tors. theta energy: -145.616 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: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1921.180204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.180204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.180204 (E_RNA) where: Base-Base interactions energy: -1343.041 where: short stacking energy: -580.568 Base-Backbone interact. energy: 1.621 local terms energy: -579.760158 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -121.555 flat angles C4'-P-C4' energy: -117.155 flat angles P-C4'-P energy: -82.179 tors. eta vs tors. theta energy: -135.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1669.250647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.250647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.250647 (E_RNA) where: Base-Base interactions energy: -1161.157 where: short stacking energy: -480.042 Base-Backbone interact. energy: -2.758 local terms energy: -505.335505 where: bonds (distance) C4'-P energy: -85.154 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -119.732 flat angles P-C4'-P energy: -76.656 tors. eta vs tors. theta energy: -89.918 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: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1552.760796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.760796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.760796 (E_RNA) where: Base-Base interactions energy: -1053.414 where: short stacking energy: -432.356 Base-Backbone interact. energy: -1.670 local terms energy: -497.676627 where: bonds (distance) C4'-P energy: -89.203 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -126.746 flat angles P-C4'-P energy: -69.341 tors. eta vs tors. theta energy: -88.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1187.062348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.062348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.062348 (E_RNA) where: Base-Base interactions energy: -782.136 where: short stacking energy: -346.191 Base-Backbone interact. energy: -2.241 local terms energy: -402.686128 where: bonds (distance) C4'-P energy: -114.344 bonds (distance) P-C4' energy: -100.701 flat angles C4'-P-C4' energy: -98.240 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -44.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2491.701440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.701440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.701440 (E_RNA) where: Base-Base interactions energy: -1755.969 where: short stacking energy: -740.209 Base-Backbone interact. energy: 0.221 local terms energy: -735.953532 where: bonds (distance) C4'-P energy: -133.231 bonds (distance) P-C4' energy: -142.561 flat angles C4'-P-C4' energy: -151.030 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -205.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2455.252414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.252414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.252414 (E_RNA) where: Base-Base interactions energy: -1719.394 where: short stacking energy: -759.759 Base-Backbone interact. energy: -3.146 local terms energy: -732.712196 where: bonds (distance) C4'-P energy: -139.562 bonds (distance) P-C4' energy: -114.759 flat angles C4'-P-C4' energy: -160.565 flat angles P-C4'-P energy: -109.097 tors. eta vs tors. theta energy: -208.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2354.553288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.553288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.553288 (E_RNA) where: Base-Base interactions energy: -1644.458 where: short stacking energy: -711.177 Base-Backbone interact. energy: -2.908 local terms energy: -707.187707 where: bonds (distance) C4'-P energy: -137.877 bonds (distance) P-C4' energy: -116.544 flat angles C4'-P-C4' energy: -152.833 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -201.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2231.870403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.870403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.870403 (E_RNA) where: Base-Base interactions energy: -1541.618 where: short stacking energy: -692.229 Base-Backbone interact. energy: 1.966 local terms energy: -692.217914 where: bonds (distance) C4'-P energy: -127.179 bonds (distance) P-C4' energy: -140.865 flat angles C4'-P-C4' energy: -139.682 flat angles P-C4'-P energy: -97.965 tors. eta vs tors. theta energy: -186.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2045.793834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.793834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.793834 (E_RNA) where: Base-Base interactions energy: -1440.343 where: short stacking energy: -635.344 Base-Backbone interact. energy: 7.055 local terms energy: -612.505694 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -121.377 flat angles C4'-P-C4' energy: -131.874 flat angles P-C4'-P energy: -81.603 tors. eta vs tors. theta energy: -160.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2066.839740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.839740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.839740 (E_RNA) where: Base-Base interactions energy: -1451.895 where: short stacking energy: -630.067 Base-Backbone interact. energy: -1.067 local terms energy: -613.877354 where: bonds (distance) C4'-P energy: -117.503 bonds (distance) P-C4' energy: -103.686 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -154.571 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: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1947.542553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.542553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.542553 (E_RNA) where: Base-Base interactions energy: -1390.081 where: short stacking energy: -594.782 Base-Backbone interact. energy: 3.159 local terms energy: -560.621197 where: bonds (distance) C4'-P energy: -95.418 bonds (distance) P-C4' energy: -117.421 flat angles C4'-P-C4' energy: -125.316 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -146.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1681.667589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.667589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.667589 (E_RNA) where: Base-Base interactions energy: -1112.174 where: short stacking energy: -481.471 Base-Backbone interact. energy: 2.909 local terms energy: -572.402528 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -115.995 flat angles C4'-P-C4' energy: -133.254 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -101.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1590.816596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.816596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.816596 (E_RNA) where: Base-Base interactions energy: -1091.218 where: short stacking energy: -441.726 Base-Backbone interact. energy: 2.033 local terms energy: -501.631723 where: bonds (distance) C4'-P energy: -102.314 bonds (distance) P-C4' energy: -126.252 flat angles C4'-P-C4' energy: -104.848 flat angles P-C4'-P energy: -75.735 tors. eta vs tors. theta energy: -92.482 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: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1181.132278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.132278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.132278 (E_RNA) where: Base-Base interactions energy: -765.220 where: short stacking energy: -345.598 Base-Backbone interact. energy: -0.005 local terms energy: -415.906964 where: bonds (distance) C4'-P energy: -87.593 bonds (distance) P-C4' energy: -119.112 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -56.965 tors. eta vs tors. theta energy: -69.663 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: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2510.582973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.582973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.582973 (E_RNA) where: Base-Base interactions energy: -1747.038 where: short stacking energy: -769.345 Base-Backbone interact. energy: 0.265 local terms energy: -763.809721 where: bonds (distance) C4'-P energy: -139.151 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -158.011 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -211.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2456.296664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.296664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.296664 (E_RNA) where: Base-Base interactions energy: -1750.636 where: short stacking energy: -713.071 Base-Backbone interact. energy: -1.028 local terms energy: -704.632495 where: bonds (distance) C4'-P energy: -126.765 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -143.984 flat angles P-C4'-P energy: -101.835 tors. eta vs tors. theta energy: -201.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2334.335394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.335394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.335394 (E_RNA) where: Base-Base interactions energy: -1620.532 where: short stacking energy: -699.428 Base-Backbone interact. energy: -3.276 local terms energy: -710.526722 where: bonds (distance) C4'-P energy: -135.766 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -145.447 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -188.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2212.548418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.548418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.548418 (E_RNA) where: Base-Base interactions energy: -1547.042 where: short stacking energy: -667.281 Base-Backbone interact. energy: 1.864 local terms energy: -667.371232 where: bonds (distance) C4'-P energy: -113.545 bonds (distance) P-C4' energy: -130.839 flat angles C4'-P-C4' energy: -159.404 flat angles P-C4'-P energy: -89.445 tors. eta vs tors. theta energy: -174.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2072.028943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.028943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.028943 (E_RNA) where: Base-Base interactions energy: -1422.424 where: short stacking energy: -621.978 Base-Backbone interact. energy: -2.919 local terms energy: -646.686582 where: bonds (distance) C4'-P energy: -125.760 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -137.226 flat angles P-C4'-P energy: -91.744 tors. eta vs tors. theta energy: -161.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2071.480821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.480821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.480821 (E_RNA) where: Base-Base interactions energy: -1447.698 where: short stacking energy: -635.787 Base-Backbone interact. energy: 0.853 local terms energy: -624.635988 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -109.170 flat angles C4'-P-C4' energy: -142.356 flat angles P-C4'-P energy: -83.257 tors. eta vs tors. theta energy: -166.911 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: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1938.955096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.955096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.955096 (E_RNA) where: Base-Base interactions energy: -1369.181 where: short stacking energy: -601.156 Base-Backbone interact. energy: -2.246 local terms energy: -567.527220 where: bonds (distance) C4'-P energy: -95.776 bonds (distance) P-C4' energy: -121.456 flat angles C4'-P-C4' energy: -128.631 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -145.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1703.265619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.265619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.265619 (E_RNA) where: Base-Base interactions energy: -1152.644 where: short stacking energy: -506.228 Base-Backbone interact. energy: -0.916 local terms energy: -549.705407 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -128.319 flat angles C4'-P-C4' energy: -129.683 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -102.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1595.783638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.783638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.783638 (E_RNA) where: Base-Base interactions energy: -1087.772 where: short stacking energy: -466.592 Base-Backbone interact. energy: -0.806 local terms energy: -507.205357 where: bonds (distance) C4'-P energy: -105.509 bonds (distance) P-C4' energy: -102.943 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -90.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1177.549275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.549275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.549275 (E_RNA) where: Base-Base interactions energy: -764.864 where: short stacking energy: -329.863 Base-Backbone interact. energy: 1.300 local terms energy: -413.984952 where: bonds (distance) C4'-P energy: -105.287 bonds (distance) P-C4' energy: -119.501 flat angles C4'-P-C4' energy: -87.541 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -35.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2510.200277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.200277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.200277 (E_RNA) where: Base-Base interactions energy: -1760.090 where: short stacking energy: -783.456 Base-Backbone interact. energy: 4.326 local terms energy: -754.436482 where: bonds (distance) C4'-P energy: -130.289 bonds (distance) P-C4' energy: -142.720 flat angles C4'-P-C4' energy: -154.571 flat angles P-C4'-P energy: -109.643 tors. eta vs tors. theta energy: -217.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2448.185675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.185675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.185675 (E_RNA) where: Base-Base interactions energy: -1744.783 where: short stacking energy: -731.290 Base-Backbone interact. energy: -2.575 local terms energy: -700.828190 where: bonds (distance) C4'-P energy: -118.369 bonds (distance) P-C4' energy: -119.398 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -204.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2333.853851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.853851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.853851 (E_RNA) where: Base-Base interactions energy: -1625.939 where: short stacking energy: -711.741 Base-Backbone interact. energy: -0.315 local terms energy: -707.599388 where: bonds (distance) C4'-P energy: -120.781 bonds (distance) P-C4' energy: -132.722 flat angles C4'-P-C4' energy: -150.299 flat angles P-C4'-P energy: -116.667 tors. eta vs tors. theta energy: -187.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2215.400165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.400165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.400165 (E_RNA) where: Base-Base interactions energy: -1572.286 where: short stacking energy: -687.988 Base-Backbone interact. energy: 0.085 local terms energy: -643.199229 where: bonds (distance) C4'-P energy: -110.345 bonds (distance) P-C4' energy: -127.360 flat angles C4'-P-C4' energy: -143.283 flat angles P-C4'-P energy: -96.288 tors. eta vs tors. theta energy: -165.923 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: 445 Temperature: 1.100000 Total energy: -2063.675293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.675293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.675293 (E_RNA) where: Base-Base interactions energy: -1462.823 where: short stacking energy: -626.144 Base-Backbone interact. energy: 6.958 local terms energy: -607.810623 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -127.146 flat angles C4'-P-C4' energy: -126.412 flat angles P-C4'-P energy: -83.414 tors. eta vs tors. theta energy: -152.575 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: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2039.451590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.451590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.451590 (E_RNA) where: Base-Base interactions energy: -1406.050 where: short stacking energy: -591.702 Base-Backbone interact. energy: -1.961 local terms energy: -631.440326 where: bonds (distance) C4'-P energy: -121.513 bonds (distance) P-C4' energy: -127.471 flat angles C4'-P-C4' energy: -143.725 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -168.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1944.990389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.990389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.990389 (E_RNA) where: Base-Base interactions energy: -1341.021 where: short stacking energy: -561.196 Base-Backbone interact. energy: -2.186 local terms energy: -601.782995 where: bonds (distance) C4'-P energy: -108.553 bonds (distance) P-C4' energy: -120.053 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -148.542 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: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1678.119175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.119175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.119175 (E_RNA) where: Base-Base interactions energy: -1149.109 where: short stacking energy: -494.063 Base-Backbone interact. energy: 0.069 local terms energy: -529.078635 where: bonds (distance) C4'-P energy: -94.060 bonds (distance) P-C4' energy: -115.471 flat angles C4'-P-C4' energy: -137.474 flat angles P-C4'-P energy: -74.768 tors. eta vs tors. theta energy: -107.305 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: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1585.450010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.450010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.450010 (E_RNA) where: Base-Base interactions energy: -1087.281 where: short stacking energy: -444.928 Base-Backbone interact. energy: 0.198 local terms energy: -498.367342 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -108.312 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -91.359 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: 445 Temperature: 1.350000 Total energy: -1234.933308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.933308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.933308 (E_RNA) where: Base-Base interactions energy: -788.058 where: short stacking energy: -348.404 Base-Backbone interact. energy: -1.521 local terms energy: -445.354425 where: bonds (distance) C4'-P energy: -114.490 bonds (distance) P-C4' energy: -131.076 flat angles C4'-P-C4' energy: -95.407 flat angles P-C4'-P energy: -65.454 tors. eta vs tors. theta energy: -38.927 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: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2490.400452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.400452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.400452 (E_RNA) where: Base-Base interactions energy: -1737.233 where: short stacking energy: -770.791 Base-Backbone interact. energy: -3.844 local terms energy: -749.323776 where: bonds (distance) C4'-P energy: -130.660 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -104.522 tors. eta vs tors. theta energy: -224.517 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: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2450.880219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.880219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.880219 (E_RNA) where: Base-Base interactions energy: -1721.162 where: short stacking energy: -709.593 Base-Backbone interact. energy: -2.226 local terms energy: -727.492411 where: bonds (distance) C4'-P energy: -124.534 bonds (distance) P-C4' energy: -130.406 flat angles C4'-P-C4' energy: -163.032 flat angles P-C4'-P energy: -108.645 tors. eta vs tors. theta energy: -200.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2344.220766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.220766 (E_RNA) where: Base-Base interactions energy: -1624.396 where: short stacking energy: -696.652 Base-Backbone interact. energy: -1.063 local terms energy: -718.762058 where: bonds (distance) C4'-P energy: -118.329 bonds (distance) P-C4' energy: -131.136 flat angles C4'-P-C4' energy: -150.240 flat angles P-C4'-P energy: -116.443 tors. eta vs tors. theta energy: -202.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2224.503551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.503551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.503551 (E_RNA) where: Base-Base interactions energy: -1544.457 where: short stacking energy: -667.511 Base-Backbone interact. energy: -4.105 local terms energy: -675.940850 where: bonds (distance) C4'-P energy: -113.951 bonds (distance) P-C4' energy: -138.386 flat angles C4'-P-C4' energy: -147.757 flat angles P-C4'-P energy: -95.426 tors. eta vs tors. theta energy: -180.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2081.481968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.481968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.481968 (E_RNA) where: Base-Base interactions energy: -1452.200 where: short stacking energy: -630.317 Base-Backbone interact. energy: -3.377 local terms energy: -625.904972 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -109.846 flat angles C4'-P-C4' energy: -137.527 flat angles P-C4'-P energy: -97.600 tors. eta vs tors. theta energy: -166.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2026.285471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.285471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.285471 (E_RNA) where: Base-Base interactions energy: -1399.653 where: short stacking energy: -578.233 Base-Backbone interact. energy: -0.439 local terms energy: -626.193065 where: bonds (distance) C4'-P energy: -114.960 bonds (distance) P-C4' energy: -132.471 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: -142.755 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: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1969.856584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.856584 (E_RNA) where: Base-Base interactions energy: -1350.414 where: short stacking energy: -559.994 Base-Backbone interact. energy: -0.424 local terms energy: -619.018551 where: bonds (distance) C4'-P energy: -124.768 bonds (distance) P-C4' energy: -117.981 flat angles C4'-P-C4' energy: -141.448 flat angles P-C4'-P energy: -87.672 tors. eta vs tors. theta energy: -147.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1707.265849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.265849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.265849 (E_RNA) where: Base-Base interactions energy: -1150.364 where: short stacking energy: -502.661 Base-Backbone interact. energy: -1.396 local terms energy: -555.505967 where: bonds (distance) C4'-P energy: -115.591 bonds (distance) P-C4' energy: -116.877 flat angles C4'-P-C4' energy: -129.913 flat angles P-C4'-P energy: -78.509 tors. eta vs tors. theta energy: -114.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1522.977765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.977765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.977765 (E_RNA) where: Base-Base interactions energy: -1019.875 where: short stacking energy: -434.345 Base-Backbone interact. energy: -0.462 local terms energy: -502.641268 where: bonds (distance) C4'-P energy: -115.552 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -108.097 flat angles P-C4'-P energy: -69.455 tors. eta vs tors. theta energy: -86.291 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: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1187.828300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.828300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.828300 (E_RNA) where: Base-Base interactions energy: -770.040 where: short stacking energy: -327.433 Base-Backbone interact. energy: 1.140 local terms energy: -418.927449 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -131.210 flat angles C4'-P-C4' energy: -104.914 flat angles P-C4'-P energy: -37.588 tors. eta vs tors. theta energy: -43.802 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: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2502.567541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.567541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.567541 (E_RNA) where: Base-Base interactions energy: -1749.905 where: short stacking energy: -768.054 Base-Backbone interact. energy: -5.866 local terms energy: -746.796547 where: bonds (distance) C4'-P energy: -146.595 bonds (distance) P-C4' energy: -136.699 flat angles C4'-P-C4' energy: -158.418 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -208.001 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: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2454.709327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.709327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.709327 (E_RNA) where: Base-Base interactions energy: -1737.844 where: short stacking energy: -732.268 Base-Backbone interact. energy: -0.922 local terms energy: -715.943117 where: bonds (distance) C4'-P energy: -131.841 bonds (distance) P-C4' energy: -131.723 flat angles C4'-P-C4' energy: -154.378 flat angles P-C4'-P energy: -104.762 tors. eta vs tors. theta energy: -193.239 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: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2365.749245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.749245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.749245 (E_RNA) where: Base-Base interactions energy: -1635.183 where: short stacking energy: -704.744 Base-Backbone interact. energy: -3.094 local terms energy: -727.471615 where: bonds (distance) C4'-P energy: -124.712 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -153.075 flat angles P-C4'-P energy: -113.898 tors. eta vs tors. theta energy: -196.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2249.462700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.462700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.462700 (E_RNA) where: Base-Base interactions energy: -1558.829 where: short stacking energy: -676.858 Base-Backbone interact. energy: -4.545 local terms energy: -686.089051 where: bonds (distance) C4'-P energy: -129.137 bonds (distance) P-C4' energy: -125.961 flat angles C4'-P-C4' energy: -147.443 flat angles P-C4'-P energy: -96.773 tors. eta vs tors. theta energy: -186.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2047.123909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.123909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.123909 (E_RNA) where: Base-Base interactions energy: -1395.688 where: short stacking energy: -596.959 Base-Backbone interact. energy: -1.456 local terms energy: -649.980006 where: bonds (distance) C4'-P energy: -118.297 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -146.681 flat angles P-C4'-P energy: -95.260 tors. eta vs tors. theta energy: -151.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2001.121938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.121938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.121938 (E_RNA) where: Base-Base interactions energy: -1381.804 where: short stacking energy: -589.373 Base-Backbone interact. energy: -3.837 local terms energy: -615.480742 where: bonds (distance) C4'-P energy: -126.984 bonds (distance) P-C4' energy: -120.709 flat angles C4'-P-C4' energy: -144.896 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -144.721 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: 7, replica: 3 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1969.288228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.288228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.288228 (E_RNA) where: Base-Base interactions energy: -1359.162 where: short stacking energy: -610.720 Base-Backbone interact. energy: -1.498 local terms energy: -608.628500 where: bonds (distance) C4'-P energy: -116.715 bonds (distance) P-C4' energy: -116.171 flat angles C4'-P-C4' energy: -144.211 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -158.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1717.244347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.244347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.244347 (E_RNA) where: Base-Base interactions energy: -1199.367 where: short stacking energy: -501.633 Base-Backbone interact. energy: -2.387 local terms energy: -515.490282 where: bonds (distance) C4'-P energy: -95.893 bonds (distance) P-C4' energy: -113.567 flat angles C4'-P-C4' energy: -121.278 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -115.731 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: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1602.228051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.228051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.228051 (E_RNA) where: Base-Base interactions energy: -1073.118 where: short stacking energy: -450.912 Base-Backbone interact. energy: -1.210 local terms energy: -527.900856 where: bonds (distance) C4'-P energy: -114.098 bonds (distance) P-C4' energy: -119.661 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: -107.562 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: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1168.028482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.028482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.028482 (E_RNA) where: Base-Base interactions energy: -745.095 where: short stacking energy: -355.163 Base-Backbone interact. energy: -1.349 local terms energy: -421.584693 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -124.630 flat angles C4'-P-C4' energy: -100.469 flat angles P-C4'-P energy: -46.910 tors. eta vs tors. theta energy: -63.579 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: 448 Temperature: 0.900000 Total energy: -2514.817470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.817470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.817470 (E_RNA) where: Base-Base interactions energy: -1780.664 where: short stacking energy: -755.610 Base-Backbone interact. energy: -3.078 local terms energy: -731.075351 where: bonds (distance) C4'-P energy: -139.105 bonds (distance) P-C4' energy: -137.105 flat angles C4'-P-C4' energy: -149.177 flat angles P-C4'-P energy: -100.140 tors. eta vs tors. theta energy: -205.548 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: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2450.985355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.985355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.985355 (E_RNA) where: Base-Base interactions energy: -1716.684 where: short stacking energy: -743.368 Base-Backbone interact. energy: -0.941 local terms energy: -733.360203 where: bonds (distance) C4'-P energy: -131.723 bonds (distance) P-C4' energy: -138.805 flat angles C4'-P-C4' energy: -157.250 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -210.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2350.462133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.462133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.462133 (E_RNA) where: Base-Base interactions energy: -1646.166 where: short stacking energy: -706.165 Base-Backbone interact. energy: -1.633 local terms energy: -702.663137 where: bonds (distance) C4'-P energy: -129.888 bonds (distance) P-C4' energy: -129.764 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -97.121 tors. eta vs tors. theta energy: -191.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2255.108080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.108080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.108080 (E_RNA) where: Base-Base interactions energy: -1586.004 where: short stacking energy: -677.350 Base-Backbone interact. energy: -0.014 local terms energy: -669.596236 where: bonds (distance) C4'-P energy: -128.780 bonds (distance) P-C4' energy: -116.059 flat angles C4'-P-C4' energy: -148.625 flat angles P-C4'-P energy: -97.213 tors. eta vs tors. theta energy: -178.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2115.872880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.872880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.872880 (E_RNA) where: Base-Base interactions energy: -1474.302 where: short stacking energy: -641.300 Base-Backbone interact. energy: -2.319 local terms energy: -639.251947 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -126.742 flat angles C4'-P-C4' energy: -135.431 flat angles P-C4'-P energy: -89.539 tors. eta vs tors. theta energy: -171.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2032.883616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.883616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.883616 (E_RNA) where: Base-Base interactions energy: -1395.400 where: short stacking energy: -602.946 Base-Backbone interact. energy: -2.430 local terms energy: -635.282981 where: bonds (distance) C4'-P energy: -107.576 bonds (distance) P-C4' energy: -133.244 flat angles C4'-P-C4' energy: -137.624 flat angles P-C4'-P energy: -95.764 tors. eta vs tors. theta energy: -161.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.229 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1940.221911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.221911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.221911 (E_RNA) where: Base-Base interactions energy: -1340.253 where: short stacking energy: -595.468 Base-Backbone interact. energy: 0.756 local terms energy: -600.724450 where: bonds (distance) C4'-P energy: -91.485 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -89.910 tors. eta vs tors. theta energy: -159.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1721.316360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.316360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.316360 (E_RNA) where: Base-Base interactions energy: -1194.610 where: short stacking energy: -511.201 Base-Backbone interact. energy: 1.382 local terms energy: -528.087939 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -118.298 flat angles C4'-P-C4' energy: -123.722 flat angles P-C4'-P energy: -67.277 tors. eta vs tors. theta energy: -107.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1567.409477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.409477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.409477 (E_RNA) where: Base-Base interactions energy: -1039.402 where: short stacking energy: -441.875 Base-Backbone interact. energy: 0.375 local terms energy: -528.382471 where: bonds (distance) C4'-P energy: -110.898 bonds (distance) P-C4' energy: -110.305 flat angles C4'-P-C4' energy: -124.905 flat angles P-C4'-P energy: -93.338 tors. eta vs tors. theta energy: -88.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1197.305422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.305422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.305422 (E_RNA) where: Base-Base interactions energy: -774.501 where: short stacking energy: -326.090 Base-Backbone interact. energy: 3.312 local terms energy: -426.115893 where: bonds (distance) C4'-P energy: -112.711 bonds (distance) P-C4' energy: -114.705 flat angles C4'-P-C4' energy: -94.853 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: -43.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2515.649771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.649771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.649771 (E_RNA) where: Base-Base interactions energy: -1788.763 where: short stacking energy: -736.479 Base-Backbone interact. energy: -4.303 local terms energy: -722.584326 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -133.595 flat angles C4'-P-C4' energy: -158.105 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -196.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2434.234122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.234122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.234122 (E_RNA) where: Base-Base interactions energy: -1709.305 where: short stacking energy: -745.483 Base-Backbone interact. energy: -2.913 local terms energy: -722.016436 where: bonds (distance) C4'-P energy: -114.002 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -154.809 flat angles P-C4'-P energy: -104.857 tors. eta vs tors. theta energy: -208.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2335.603049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.603049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.603049 (E_RNA) where: Base-Base interactions energy: -1626.577 where: short stacking energy: -709.667 Base-Backbone interact. energy: -3.357 local terms energy: -705.669828 where: bonds (distance) C4'-P energy: -123.974 bonds (distance) P-C4' energy: -124.019 flat angles C4'-P-C4' energy: -155.850 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -200.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2264.913505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.913505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.913505 (E_RNA) where: Base-Base interactions energy: -1605.118 where: short stacking energy: -678.121 Base-Backbone interact. energy: -4.354 local terms energy: -656.175347 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -114.655 flat angles C4'-P-C4' energy: -149.931 flat angles P-C4'-P energy: -84.614 tors. eta vs tors. theta energy: -186.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2143.005240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.005240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.005240 (E_RNA) where: Base-Base interactions energy: -1499.741 where: short stacking energy: -658.311 Base-Backbone interact. energy: -2.435 local terms energy: -640.829058 where: bonds (distance) C4'-P energy: -118.723 bonds (distance) P-C4' energy: -108.288 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -97.594 tors. eta vs tors. theta energy: -179.270 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: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2012.734085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.734085 (E_RNA) where: Base-Base interactions energy: -1404.130 where: short stacking energy: -610.506 Base-Backbone interact. energy: -1.288 local terms energy: -607.316851 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -139.658 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -165.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1925.592702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.592702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.592702 (E_RNA) where: Base-Base interactions energy: -1322.212 where: short stacking energy: -570.482 Base-Backbone interact. energy: -3.515 local terms energy: -599.865414 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -117.220 flat angles C4'-P-C4' energy: -129.896 flat angles P-C4'-P energy: -96.593 tors. eta vs tors. theta energy: -154.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1681.779668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.779668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.779668 (E_RNA) where: Base-Base interactions energy: -1140.182 where: short stacking energy: -510.113 Base-Backbone interact. energy: 2.263 local terms energy: -543.859881 where: bonds (distance) C4'-P energy: -103.869 bonds (distance) P-C4' energy: -123.449 flat angles C4'-P-C4' energy: -122.240 flat angles P-C4'-P energy: -78.091 tors. eta vs tors. theta energy: -116.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1569.692999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.692999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.692999 (E_RNA) where: Base-Base interactions energy: -1061.544 where: short stacking energy: -464.142 Base-Backbone interact. energy: 3.619 local terms energy: -511.768775 where: bonds (distance) C4'-P energy: -107.342 bonds (distance) P-C4' energy: -124.825 flat angles C4'-P-C4' energy: -119.683 flat angles P-C4'-P energy: -68.341 tors. eta vs tors. theta energy: -91.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1213.610396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.610396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.610396 (E_RNA) where: Base-Base interactions energy: -786.176 where: short stacking energy: -365.600 Base-Backbone interact. energy: -1.299 local terms energy: -426.134649 where: bonds (distance) C4'-P energy: -95.912 bonds (distance) P-C4' energy: -107.930 flat angles C4'-P-C4' energy: -105.090 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: -44.567 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: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2519.083267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.083267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.083267 (E_RNA) where: Base-Base interactions energy: -1785.792 where: short stacking energy: -740.429 Base-Backbone interact. energy: -1.011 local terms energy: -732.280482 where: bonds (distance) C4'-P energy: -139.269 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -153.978 flat angles P-C4'-P energy: -96.878 tors. eta vs tors. theta energy: -205.795 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: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2420.191145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.191145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.191145 (E_RNA) where: Base-Base interactions energy: -1701.067 where: short stacking energy: -740.151 Base-Backbone interact. energy: -0.048 local terms energy: -719.076400 where: bonds (distance) C4'-P energy: -124.398 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -144.615 flat angles P-C4'-P energy: -113.916 tors. eta vs tors. theta energy: -210.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2348.864114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.864114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.864114 (E_RNA) where: Base-Base interactions energy: -1639.640 where: short stacking energy: -690.643 Base-Backbone interact. energy: -3.145 local terms energy: -706.078911 where: bonds (distance) C4'-P energy: -118.656 bonds (distance) P-C4' energy: -147.287 flat angles C4'-P-C4' energy: -151.516 flat angles P-C4'-P energy: -99.005 tors. eta vs tors. theta energy: -189.615 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: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2313.585396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.585396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.585396 (E_RNA) where: Base-Base interactions energy: -1636.358 where: short stacking energy: -705.600 Base-Backbone interact. energy: -2.286 local terms energy: -674.941804 where: bonds (distance) C4'-P energy: -103.807 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -159.157 flat angles P-C4'-P energy: -88.517 tors. eta vs tors. theta energy: -197.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2158.744044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.744044 (E_RNA) where: Base-Base interactions energy: -1514.747 where: short stacking energy: -661.370 Base-Backbone interact. energy: -0.623 local terms energy: -643.374036 where: bonds (distance) C4'-P energy: -122.742 bonds (distance) P-C4' energy: -117.898 flat angles C4'-P-C4' energy: -138.052 flat angles P-C4'-P energy: -82.479 tors. eta vs tors. theta energy: -182.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1974.291253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.291253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.291253 (E_RNA) where: Base-Base interactions energy: -1333.985 where: short stacking energy: -579.960 Base-Backbone interact. energy: -2.221 local terms energy: -638.085326 where: bonds (distance) C4'-P energy: -128.267 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -144.575 flat angles P-C4'-P energy: -93.184 tors. eta vs tors. theta energy: -165.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1866.290831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.290831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.290831 (E_RNA) where: Base-Base interactions energy: -1297.883 where: short stacking energy: -556.603 Base-Backbone interact. energy: 2.796 local terms energy: -571.203885 where: bonds (distance) C4'-P energy: -107.536 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -132.962 flat angles P-C4'-P energy: -92.134 tors. eta vs tors. theta energy: -133.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1675.332322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.332322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.332322 (E_RNA) where: Base-Base interactions energy: -1143.573 where: short stacking energy: -476.868 Base-Backbone interact. energy: 0.576 local terms energy: -532.334902 where: bonds (distance) C4'-P energy: -101.495 bonds (distance) P-C4' energy: -128.950 flat angles C4'-P-C4' energy: -122.999 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -102.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1602.049757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.049757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.049757 (E_RNA) where: Base-Base interactions energy: -1095.344 where: short stacking energy: -479.791 Base-Backbone interact. energy: -1.949 local terms energy: -504.756790 where: bonds (distance) C4'-P energy: -110.924 bonds (distance) P-C4' energy: -99.070 flat angles C4'-P-C4' energy: -120.770 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -108.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1204.815573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.815573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.815573 (E_RNA) where: Base-Base interactions energy: -745.707 where: short stacking energy: -344.831 Base-Backbone interact. energy: -3.657 local terms energy: -455.450873 where: bonds (distance) C4'-P energy: -117.865 bonds (distance) P-C4' energy: -110.231 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -89.548 tors. eta vs tors. theta energy: -44.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2526.457469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.457469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.457469 (E_RNA) where: Base-Base interactions energy: -1797.640 where: short stacking energy: -737.431 Base-Backbone interact. energy: -0.577 local terms energy: -728.240313 where: bonds (distance) C4'-P energy: -140.418 bonds (distance) P-C4' energy: -140.596 flat angles C4'-P-C4' energy: -147.833 flat angles P-C4'-P energy: -100.932 tors. eta vs tors. theta energy: -198.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2428.542260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.542260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.542260 (E_RNA) where: Base-Base interactions energy: -1678.628 where: short stacking energy: -747.387 Base-Backbone interact. energy: -0.606 local terms energy: -749.308135 where: bonds (distance) C4'-P energy: -140.159 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -151.120 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -209.509 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: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2339.048205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.048205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.048205 (E_RNA) where: Base-Base interactions energy: -1667.735 where: short stacking energy: -699.543 Base-Backbone interact. energy: -1.747 local terms energy: -669.565656 where: bonds (distance) C4'-P energy: -114.063 bonds (distance) P-C4' energy: -139.228 flat angles C4'-P-C4' energy: -139.733 flat angles P-C4'-P energy: -94.549 tors. eta vs tors. theta energy: -181.992 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: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2265.690958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.690958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.690958 (E_RNA) where: Base-Base interactions energy: -1608.847 where: short stacking energy: -682.627 Base-Backbone interact. energy: -0.859 local terms energy: -655.985495 where: bonds (distance) C4'-P energy: -119.357 bonds (distance) P-C4' energy: -126.798 flat angles C4'-P-C4' energy: -129.738 flat angles P-C4'-P energy: -93.633 tors. eta vs tors. theta energy: -186.459 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2189.490196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.490196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.490196 (E_RNA) where: Base-Base interactions energy: -1517.185 where: short stacking energy: -638.298 Base-Backbone interact. energy: 0.271 local terms energy: -672.576253 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -126.874 flat angles C4'-P-C4' energy: -148.589 flat angles P-C4'-P energy: -98.392 tors. eta vs tors. theta energy: -171.925 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: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1995.745615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.745615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.745615 (E_RNA) where: Base-Base interactions energy: -1394.452 where: short stacking energy: -616.492 Base-Backbone interact. energy: 1.355 local terms energy: -602.648632 where: bonds (distance) C4'-P energy: -111.054 bonds (distance) P-C4' energy: -110.128 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -154.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1906.771241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.771241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.771241 (E_RNA) where: Base-Base interactions energy: -1320.230 where: short stacking energy: -544.818 Base-Backbone interact. energy: -0.259 local terms energy: -586.281800 where: bonds (distance) C4'-P energy: -108.776 bonds (distance) P-C4' energy: -126.631 flat angles C4'-P-C4' energy: -131.329 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -126.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1697.150923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.150923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.150923 (E_RNA) where: Base-Base interactions energy: -1181.058 where: short stacking energy: -502.001 Base-Backbone interact. energy: -1.546 local terms energy: -514.547385 where: bonds (distance) C4'-P energy: -93.891 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -107.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1628.420924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.420924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.420924 (E_RNA) where: Base-Base interactions energy: -1114.112 where: short stacking energy: -472.032 Base-Backbone interact. energy: 0.090 local terms energy: -514.399056 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -123.643 flat angles C4'-P-C4' energy: -119.182 flat angles P-C4'-P energy: -64.297 tors. eta vs tors. theta energy: -90.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1224.805662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.805662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.805662 (E_RNA) where: Base-Base interactions energy: -784.437 where: short stacking energy: -354.585 Base-Backbone interact. energy: 3.499 local terms energy: -443.868365 where: bonds (distance) C4'-P energy: -92.646 bonds (distance) P-C4' energy: -120.059 flat angles C4'-P-C4' energy: -120.974 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: -47.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2515.019453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.019453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.019453 (E_RNA) where: Base-Base interactions energy: -1757.077 where: short stacking energy: -737.384 Base-Backbone interact. energy: -4.828 local terms energy: -753.113934 where: bonds (distance) C4'-P energy: -142.505 bonds (distance) P-C4' energy: -142.680 flat angles C4'-P-C4' energy: -161.680 flat angles P-C4'-P energy: -94.440 tors. eta vs tors. theta energy: -211.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2414.278925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.278925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.278925 (E_RNA) where: Base-Base interactions energy: -1655.139 where: short stacking energy: -721.263 Base-Backbone interact. energy: -4.982 local terms energy: -754.158219 where: bonds (distance) C4'-P energy: -135.862 bonds (distance) P-C4' energy: -150.792 flat angles C4'-P-C4' energy: -167.804 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -204.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2318.060180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.060180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.060180 (E_RNA) where: Base-Base interactions energy: -1609.122 where: short stacking energy: -654.838 Base-Backbone interact. energy: -3.596 local terms energy: -705.342288 where: bonds (distance) C4'-P energy: -136.493 bonds (distance) P-C4' energy: -126.688 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -108.304 tors. eta vs tors. theta energy: -187.999 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: 452 Temperature: 1.050000 Total energy: -2297.994684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.994684 (E_RNA) where: Base-Base interactions energy: -1616.770 where: short stacking energy: -680.382 Base-Backbone interact. energy: 0.462 local terms energy: -681.752215 where: bonds (distance) C4'-P energy: -122.125 bonds (distance) P-C4' energy: -131.419 flat angles C4'-P-C4' energy: -136.759 flat angles P-C4'-P energy: -107.210 tors. eta vs tors. theta energy: -184.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2199.458357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.458357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.458357 (E_RNA) where: Base-Base interactions energy: -1525.324 where: short stacking energy: -651.189 Base-Backbone interact. energy: -2.807 local terms energy: -671.327705 where: bonds (distance) C4'-P energy: -121.845 bonds (distance) P-C4' energy: -130.594 flat angles C4'-P-C4' energy: -156.994 flat angles P-C4'-P energy: -92.745 tors. eta vs tors. theta energy: -169.150 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: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1977.779030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.779030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.779030 (E_RNA) where: Base-Base interactions energy: -1363.128 where: short stacking energy: -568.942 Base-Backbone interact. energy: -1.744 local terms energy: -612.906626 where: bonds (distance) C4'-P energy: -119.255 bonds (distance) P-C4' energy: -121.633 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -87.386 tors. eta vs tors. theta energy: -146.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1908.038096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.038096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.038096 (E_RNA) where: Base-Base interactions energy: -1313.152 where: short stacking energy: -549.049 Base-Backbone interact. energy: -1.825 local terms energy: -593.060815 where: bonds (distance) C4'-P energy: -119.294 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -134.737 flat angles P-C4'-P energy: -83.549 tors. eta vs tors. theta energy: -133.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1687.447723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.447723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.447723 (E_RNA) where: Base-Base interactions energy: -1148.074 where: short stacking energy: -469.593 Base-Backbone interact. energy: 1.746 local terms energy: -541.120113 where: bonds (distance) C4'-P energy: -106.354 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -120.871 flat angles P-C4'-P energy: -93.778 tors. eta vs tors. theta energy: -109.730 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: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1606.127177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.127177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.127177 (E_RNA) where: Base-Base interactions energy: -1136.716 where: short stacking energy: -485.475 Base-Backbone interact. energy: 0.273 local terms energy: -469.683889 where: bonds (distance) C4'-P energy: -72.409 bonds (distance) P-C4' energy: -113.298 flat angles C4'-P-C4' energy: -113.630 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -93.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1260.311094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.311094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.311094 (E_RNA) where: Base-Base interactions energy: -817.153 where: short stacking energy: -349.384 Base-Backbone interact. energy: -0.638 local terms energy: -442.520722 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -112.582 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -48.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2499.416481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.416481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.416481 (E_RNA) where: Base-Base interactions energy: -1760.082 where: short stacking energy: -727.665 Base-Backbone interact. energy: -6.138 local terms energy: -733.196204 where: bonds (distance) C4'-P energy: -138.488 bonds (distance) P-C4' energy: -144.551 flat angles C4'-P-C4' energy: -153.146 flat angles P-C4'-P energy: -99.140 tors. eta vs tors. theta energy: -197.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2444.464528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.464528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.464528 (E_RNA) where: Base-Base interactions energy: -1721.760 where: short stacking energy: -757.473 Base-Backbone interact. energy: -2.305 local terms energy: -720.399924 where: bonds (distance) C4'-P energy: -123.505 bonds (distance) P-C4' energy: -138.116 flat angles C4'-P-C4' energy: -151.724 flat angles P-C4'-P energy: -90.414 tors. eta vs tors. theta energy: -216.641 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: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2371.995535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.995535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.995535 (E_RNA) where: Base-Base interactions energy: -1657.181 where: short stacking energy: -713.851 Base-Backbone interact. energy: -3.608 local terms energy: -711.206291 where: bonds (distance) C4'-P energy: -124.251 bonds (distance) P-C4' energy: -126.886 flat angles C4'-P-C4' energy: -161.538 flat angles P-C4'-P energy: -105.083 tors. eta vs tors. theta energy: -193.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2188.427115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.427115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.427115 (E_RNA) where: Base-Base interactions energy: -1509.238 where: short stacking energy: -670.289 Base-Backbone interact. energy: -2.643 local terms energy: -676.546921 where: bonds (distance) C4'-P energy: -137.726 bonds (distance) P-C4' energy: -122.784 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -169.830 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: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2218.821106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.821106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.821106 (E_RNA) where: Base-Base interactions energy: -1547.827 where: short stacking energy: -695.488 Base-Backbone interact. energy: -2.586 local terms energy: -668.408104 where: bonds (distance) C4'-P energy: -106.482 bonds (distance) P-C4' energy: -121.632 flat angles C4'-P-C4' energy: -145.748 flat angles P-C4'-P energy: -104.341 tors. eta vs tors. theta energy: -190.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2022.876933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.876933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.876933 (E_RNA) where: Base-Base interactions energy: -1405.602 where: short stacking energy: -611.155 Base-Backbone interact. energy: -1.388 local terms energy: -615.887349 where: bonds (distance) C4'-P energy: -126.206 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -129.238 flat angles P-C4'-P energy: -88.326 tors. eta vs tors. theta energy: -152.159 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: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1858.788956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.788956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.788956 (E_RNA) where: Base-Base interactions energy: -1289.243 where: short stacking energy: -542.411 Base-Backbone interact. energy: 2.909 local terms energy: -572.454352 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -130.010 flat angles C4'-P-C4' energy: -130.211 flat angles P-C4'-P energy: -72.763 tors. eta vs tors. theta energy: -129.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1678.364220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.364220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.364220 (E_RNA) where: Base-Base interactions energy: -1171.317 where: short stacking energy: -521.546 Base-Backbone interact. energy: 0.305 local terms energy: -507.351660 where: bonds (distance) C4'-P energy: -94.439 bonds (distance) P-C4' energy: -114.662 flat angles C4'-P-C4' energy: -117.782 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: -105.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1645.670350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.670350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.670350 (E_RNA) where: Base-Base interactions energy: -1120.250 where: short stacking energy: -483.073 Base-Backbone interact. energy: -0.560 local terms energy: -524.860559 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -106.793 flat angles C4'-P-C4' energy: -123.883 flat angles P-C4'-P energy: -90.677 tors. eta vs tors. theta energy: -103.941 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: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1237.544705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.544705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.544705 (E_RNA) where: Base-Base interactions energy: -761.860 where: short stacking energy: -355.249 Base-Backbone interact. energy: 2.052 local terms energy: -477.736371 where: bonds (distance) C4'-P energy: -101.539 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -120.406 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -66.636 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: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2522.069813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.069813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.069813 (E_RNA) where: Base-Base interactions energy: -1771.351 where: short stacking energy: -753.390 Base-Backbone interact. energy: 5.578 local terms energy: -756.297306 where: bonds (distance) C4'-P energy: -142.211 bonds (distance) P-C4' energy: -141.312 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -109.343 tors. eta vs tors. theta energy: -210.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2442.609788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.609788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.609788 (E_RNA) where: Base-Base interactions energy: -1699.749 where: short stacking energy: -757.481 Base-Backbone interact. energy: -2.377 local terms energy: -740.483534 where: bonds (distance) C4'-P energy: -141.842 bonds (distance) P-C4' energy: -137.314 flat angles C4'-P-C4' energy: -145.414 flat angles P-C4'-P energy: -108.916 tors. eta vs tors. theta energy: -206.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2335.306463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.306463 (E_RNA) where: Base-Base interactions energy: -1624.624 where: short stacking energy: -702.356 Base-Backbone interact. energy: -2.713 local terms energy: -707.969043 where: bonds (distance) C4'-P energy: -134.567 bonds (distance) P-C4' energy: -134.688 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -201.745 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2164.232696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.232696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.232696 (E_RNA) where: Base-Base interactions energy: -1503.617 where: short stacking energy: -663.439 Base-Backbone interact. energy: -5.206 local terms energy: -655.409357 where: bonds (distance) C4'-P energy: -115.411 bonds (distance) P-C4' energy: -139.055 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -178.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2250.871216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.871216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.871216 (E_RNA) where: Base-Base interactions energy: -1561.217 where: short stacking energy: -638.483 Base-Backbone interact. energy: -1.226 local terms energy: -688.428296 where: bonds (distance) C4'-P energy: -134.838 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -132.576 flat angles P-C4'-P energy: -107.866 tors. eta vs tors. theta energy: -181.742 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: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1996.062517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.062517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.062517 (E_RNA) where: Base-Base interactions energy: -1402.981 where: short stacking energy: -606.680 Base-Backbone interact. energy: -3.183 local terms energy: -589.898910 where: bonds (distance) C4'-P energy: -86.049 bonds (distance) P-C4' energy: -121.204 flat angles C4'-P-C4' energy: -137.305 flat angles P-C4'-P energy: -87.201 tors. eta vs tors. theta energy: -158.141 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: 3 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1852.178608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.178608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.178608 (E_RNA) where: Base-Base interactions energy: -1270.645 where: short stacking energy: -544.581 Base-Backbone interact. energy: -4.558 local terms energy: -576.976081 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -116.848 flat angles C4'-P-C4' energy: -127.053 flat angles P-C4'-P energy: -84.049 tors. eta vs tors. theta energy: -127.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1621.161100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.161100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.161100 (E_RNA) where: Base-Base interactions energy: -1125.855 where: short stacking energy: -470.781 Base-Backbone interact. energy: -2.202 local terms energy: -493.104094 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -103.013 flat angles C4'-P-C4' energy: -119.168 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -95.422 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: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1623.179145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.179145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.179145 (E_RNA) where: Base-Base interactions energy: -1124.431 where: short stacking energy: -474.071 Base-Backbone interact. energy: -2.891 local terms energy: -495.857605 where: bonds (distance) C4'-P energy: -111.045 bonds (distance) P-C4' energy: -100.217 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -83.249 tors. eta vs tors. theta energy: -87.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1218.901383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.901383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.901383 (E_RNA) where: Base-Base interactions energy: -818.246 where: short stacking energy: -366.336 Base-Backbone interact. energy: 1.001 local terms energy: -401.656109 where: bonds (distance) C4'-P energy: -102.786 bonds (distance) P-C4' energy: -110.160 flat angles C4'-P-C4' energy: -90.503 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -56.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2516.516502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.516502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.516502 (E_RNA) where: Base-Base interactions energy: -1772.783 where: short stacking energy: -729.882 Base-Backbone interact. energy: -0.932 local terms energy: -742.801713 where: bonds (distance) C4'-P energy: -133.216 bonds (distance) P-C4' energy: -139.638 flat angles C4'-P-C4' energy: -149.125 flat angles P-C4'-P energy: -111.471 tors. eta vs tors. theta energy: -209.352 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: 9 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2420.579401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.579401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.579401 (E_RNA) where: Base-Base interactions energy: -1690.675 where: short stacking energy: -728.580 Base-Backbone interact. energy: -3.724 local terms energy: -726.180693 where: bonds (distance) C4'-P energy: -140.997 bonds (distance) P-C4' energy: -136.557 flat angles C4'-P-C4' energy: -144.593 flat angles P-C4'-P energy: -98.306 tors. eta vs tors. theta energy: -205.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2330.340673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.340673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.340673 (E_RNA) where: Base-Base interactions energy: -1608.195 where: short stacking energy: -725.088 Base-Backbone interact. energy: -3.082 local terms energy: -719.063535 where: bonds (distance) C4'-P energy: -130.901 bonds (distance) P-C4' energy: -126.567 flat angles C4'-P-C4' energy: -155.093 flat angles P-C4'-P energy: -97.792 tors. eta vs tors. theta energy: -208.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2299.666397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.666397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.666397 (E_RNA) where: Base-Base interactions energy: -1639.922 where: short stacking energy: -712.737 Base-Backbone interact. energy: -0.622 local terms energy: -659.121923 where: bonds (distance) C4'-P energy: -111.848 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -135.537 flat angles P-C4'-P energy: -92.427 tors. eta vs tors. theta energy: -184.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2154.441139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.441139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.441139 (E_RNA) where: Base-Base interactions energy: -1505.319 where: short stacking energy: -626.481 Base-Backbone interact. energy: -5.020 local terms energy: -644.102718 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -80.729 tors. eta vs tors. theta energy: -165.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2021.882228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.882228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.882228 (E_RNA) where: Base-Base interactions energy: -1398.348 where: short stacking energy: -569.321 Base-Backbone interact. energy: -2.980 local terms energy: -620.554767 where: bonds (distance) C4'-P energy: -116.598 bonds (distance) P-C4' energy: -108.652 flat angles C4'-P-C4' energy: -140.828 flat angles P-C4'-P energy: -97.036 tors. eta vs tors. theta energy: -157.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1945.589086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.589086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.589086 (E_RNA) where: Base-Base interactions energy: -1377.808 where: short stacking energy: -613.756 Base-Backbone interact. energy: 0.803 local terms energy: -568.584152 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -117.966 flat angles C4'-P-C4' energy: -139.148 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -148.932 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: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1685.214018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.214018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.214018 (E_RNA) where: Base-Base interactions energy: -1152.546 where: short stacking energy: -503.445 Base-Backbone interact. energy: -4.105 local terms energy: -528.563336 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -122.784 flat angles C4'-P-C4' energy: -132.686 flat angles P-C4'-P energy: -67.856 tors. eta vs tors. theta energy: -118.514 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: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1599.759261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.759261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.759261 (E_RNA) where: Base-Base interactions energy: -1110.343 where: short stacking energy: -493.861 Base-Backbone interact. energy: 4.357 local terms energy: -493.773401 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -110.183 flat angles C4'-P-C4' energy: -110.274 flat angles P-C4'-P energy: -79.512 tors. eta vs tors. theta energy: -99.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1328.042070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.042070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.042070 (E_RNA) where: Base-Base interactions energy: -887.650 where: short stacking energy: -409.737 Base-Backbone interact. energy: -2.202 local terms energy: -438.190058 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -110.025 flat angles C4'-P-C4' energy: -108.125 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -59.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2513.288764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.288764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.288764 (E_RNA) where: Base-Base interactions energy: -1762.125 where: short stacking energy: -741.913 Base-Backbone interact. energy: -4.036 local terms energy: -747.128020 where: bonds (distance) C4'-P energy: -136.071 bonds (distance) P-C4' energy: -127.803 flat angles C4'-P-C4' energy: -169.986 flat angles P-C4'-P energy: -112.310 tors. eta vs tors. theta energy: -200.958 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: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2376.032988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.032988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.032988 (E_RNA) where: Base-Base interactions energy: -1653.802 where: short stacking energy: -734.298 Base-Backbone interact. energy: -3.357 local terms energy: -718.873422 where: bonds (distance) C4'-P energy: -127.504 bonds (distance) P-C4' energy: -145.661 flat angles C4'-P-C4' energy: -155.062 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -195.337 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: 456 Temperature: 1.000000 Total energy: -2397.013450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.013450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.013450 (E_RNA) where: Base-Base interactions energy: -1706.822 where: short stacking energy: -703.332 Base-Backbone interact. energy: 0.666 local terms energy: -690.857932 where: bonds (distance) C4'-P energy: -123.536 bonds (distance) P-C4' energy: -127.328 flat angles C4'-P-C4' energy: -143.235 flat angles P-C4'-P energy: -100.736 tors. eta vs tors. theta energy: -196.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2269.180879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.180879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.180879 (E_RNA) where: Base-Base interactions energy: -1586.395 where: short stacking energy: -691.055 Base-Backbone interact. energy: -4.814 local terms energy: -677.971669 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -119.463 flat angles C4'-P-C4' energy: -150.550 flat angles P-C4'-P energy: -92.086 tors. eta vs tors. theta energy: -195.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2168.554942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.554942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.554942 (E_RNA) where: Base-Base interactions energy: -1546.272 where: short stacking energy: -660.427 Base-Backbone interact. energy: 0.186 local terms energy: -622.468624 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -112.561 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -98.941 tors. eta vs tors. theta energy: -168.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2049.154652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.154652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.154652 (E_RNA) where: Base-Base interactions energy: -1422.732 where: short stacking energy: -590.796 Base-Backbone interact. energy: -0.706 local terms energy: -625.716248 where: bonds (distance) C4'-P energy: -102.363 bonds (distance) P-C4' energy: -121.208 flat angles C4'-P-C4' energy: -140.111 flat angles P-C4'-P energy: -95.070 tors. eta vs tors. theta energy: -166.964 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1900.835993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.835993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.835993 (E_RNA) where: Base-Base interactions energy: -1326.645 where: short stacking energy: -562.201 Base-Backbone interact. energy: 1.631 local terms energy: -575.821230 where: bonds (distance) C4'-P energy: -104.163 bonds (distance) P-C4' energy: -112.522 flat angles C4'-P-C4' energy: -127.398 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -138.778 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: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1681.098935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.098935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.098935 (E_RNA) where: Base-Base interactions energy: -1123.246 where: short stacking energy: -494.796 Base-Backbone interact. energy: 5.224 local terms energy: -563.077844 where: bonds (distance) C4'-P energy: -106.177 bonds (distance) P-C4' energy: -134.739 flat angles C4'-P-C4' energy: -130.229 flat angles P-C4'-P energy: -82.268 tors. eta vs tors. theta energy: -109.665 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: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1631.281905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.281905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.281905 (E_RNA) where: Base-Base interactions energy: -1141.401 where: short stacking energy: -446.300 Base-Backbone interact. energy: -1.121 local terms energy: -488.759540 where: bonds (distance) C4'-P energy: -89.996 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -122.869 flat angles P-C4'-P energy: -61.267 tors. eta vs tors. theta energy: -99.715 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: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1336.207357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.207357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.207357 (E_RNA) where: Base-Base interactions energy: -897.164 where: short stacking energy: -379.777 Base-Backbone interact. energy: -0.449 local terms energy: -438.594644 where: bonds (distance) C4'-P energy: -81.264 bonds (distance) P-C4' energy: -111.682 flat angles C4'-P-C4' energy: -111.070 flat angles P-C4'-P energy: -71.761 tors. eta vs tors. theta energy: -62.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2530.057565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.057565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.057565 (E_RNA) where: Base-Base interactions energy: -1796.398 where: short stacking energy: -754.624 Base-Backbone interact. energy: -3.326 local terms energy: -730.333311 where: bonds (distance) C4'-P energy: -139.805 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -156.116 flat angles P-C4'-P energy: -100.283 tors. eta vs tors. theta energy: -205.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2393.277738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.277738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.277738 (E_RNA) where: Base-Base interactions energy: -1675.702 where: short stacking energy: -721.008 Base-Backbone interact. energy: -1.746 local terms energy: -715.830168 where: bonds (distance) C4'-P energy: -131.036 bonds (distance) P-C4' energy: -140.334 flat angles C4'-P-C4' energy: -147.054 flat angles P-C4'-P energy: -103.441 tors. eta vs tors. theta energy: -193.965 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: 457 Temperature: 1.000000 Total energy: -2325.300181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.300181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.300181 (E_RNA) where: Base-Base interactions energy: -1630.957 where: short stacking energy: -703.877 Base-Backbone interact. energy: -1.152 local terms energy: -693.191413 where: bonds (distance) C4'-P energy: -116.839 bonds (distance) P-C4' energy: -124.932 flat angles C4'-P-C4' energy: -156.644 flat angles P-C4'-P energy: -108.737 tors. eta vs tors. theta energy: -186.039 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: 457 Temperature: 1.050000 Total energy: -2305.538496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.538496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.538496 (E_RNA) where: Base-Base interactions energy: -1598.028 where: short stacking energy: -714.063 Base-Backbone interact. energy: -2.681 local terms energy: -704.829104 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -141.954 flat angles C4'-P-C4' energy: -146.102 flat angles P-C4'-P energy: -93.975 tors. eta vs tors. theta energy: -187.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2074.891530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.891530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.891530 (E_RNA) where: Base-Base interactions energy: -1437.009 where: short stacking energy: -629.165 Base-Backbone interact. energy: -1.007 local terms energy: -636.875463 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -120.359 flat angles C4'-P-C4' energy: -139.542 flat angles P-C4'-P energy: -97.752 tors. eta vs tors. theta energy: -158.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2082.390572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.390572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.390572 (E_RNA) where: Base-Base interactions energy: -1452.009 where: short stacking energy: -614.858 Base-Backbone interact. energy: -2.571 local terms energy: -627.810724 where: bonds (distance) C4'-P energy: -104.428 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -134.664 flat angles P-C4'-P energy: -86.382 tors. eta vs tors. theta energy: -176.549 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: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1907.080021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.080021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.080021 (E_RNA) where: Base-Base interactions energy: -1323.871 where: short stacking energy: -560.640 Base-Backbone interact. energy: -1.557 local terms energy: -581.652449 where: bonds (distance) C4'-P energy: -111.345 bonds (distance) P-C4' energy: -100.406 flat angles C4'-P-C4' energy: -129.304 flat angles P-C4'-P energy: -92.267 tors. eta vs tors. theta energy: -148.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1695.698822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.698822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.698822 (E_RNA) where: Base-Base interactions energy: -1138.147 where: short stacking energy: -478.778 Base-Backbone interact. energy: -1.271 local terms energy: -556.281323 where: bonds (distance) C4'-P energy: -113.692 bonds (distance) P-C4' energy: -117.081 flat angles C4'-P-C4' energy: -134.043 flat angles P-C4'-P energy: -89.200 tors. eta vs tors. theta energy: -102.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1579.255451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.255451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.255451 (E_RNA) where: Base-Base interactions energy: -1058.112 where: short stacking energy: -472.524 Base-Backbone interact. energy: -2.037 local terms energy: -519.106513 where: bonds (distance) C4'-P energy: -107.229 bonds (distance) P-C4' energy: -122.809 flat angles C4'-P-C4' energy: -111.319 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -110.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1254.466142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.466142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.466142 (E_RNA) where: Base-Base interactions energy: -795.933 where: short stacking energy: -335.882 Base-Backbone interact. energy: 0.597 local terms energy: -459.130162 where: bonds (distance) C4'-P energy: -110.574 bonds (distance) P-C4' energy: -129.638 flat angles C4'-P-C4' energy: -95.538 flat angles P-C4'-P energy: -81.911 tors. eta vs tors. theta energy: -41.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2493.440052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.440052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.440052 (E_RNA) where: Base-Base interactions energy: -1764.168 where: short stacking energy: -744.845 Base-Backbone interact. energy: -2.791 local terms energy: -726.480081 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -136.207 flat angles C4'-P-C4' energy: -144.818 flat angles P-C4'-P energy: -103.787 tors. eta vs tors. theta energy: -204.546 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: 458 Temperature: 0.950000 Total energy: -2400.659044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.659044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.659044 (E_RNA) where: Base-Base interactions energy: -1670.599 where: short stacking energy: -709.986 Base-Backbone interact. energy: -6.313 local terms energy: -723.747625 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -130.495 flat angles C4'-P-C4' energy: -157.700 flat angles P-C4'-P energy: -108.726 tors. eta vs tors. theta energy: -197.898 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: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2351.354906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.354906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.354906 (E_RNA) where: Base-Base interactions energy: -1645.991 where: short stacking energy: -702.805 Base-Backbone interact. energy: -4.858 local terms energy: -700.505510 where: bonds (distance) C4'-P energy: -147.117 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -141.964 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -189.874 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: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2247.298944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.298944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.298944 (E_RNA) where: Base-Base interactions energy: -1557.939 where: short stacking energy: -688.503 Base-Backbone interact. energy: -2.319 local terms energy: -687.041057 where: bonds (distance) C4'-P energy: -126.649 bonds (distance) P-C4' energy: -125.130 flat angles C4'-P-C4' energy: -135.371 flat angles P-C4'-P energy: -106.740 tors. eta vs tors. theta energy: -193.151 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: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2071.939869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.939869 (E_RNA) where: Base-Base interactions energy: -1464.011 where: short stacking energy: -636.773 Base-Backbone interact. energy: -2.433 local terms energy: -605.495823 where: bonds (distance) C4'-P energy: -116.214 bonds (distance) P-C4' energy: -106.291 flat angles C4'-P-C4' energy: -135.065 flat angles P-C4'-P energy: -81.541 tors. eta vs tors. theta energy: -166.385 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: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2092.478716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.478716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.478716 (E_RNA) where: Base-Base interactions energy: -1456.767 where: short stacking energy: -640.641 Base-Backbone interact. energy: 2.738 local terms energy: -638.449694 where: bonds (distance) C4'-P energy: -117.128 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -91.943 tors. eta vs tors. theta energy: -180.400 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: 458 Temperature: 1.200000 Total energy: -1957.942155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.942155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.942155 (E_RNA) where: Base-Base interactions energy: -1348.364 where: short stacking energy: -579.401 Base-Backbone interact. energy: -1.923 local terms energy: -607.654580 where: bonds (distance) C4'-P energy: -127.642 bonds (distance) P-C4' energy: -126.507 flat angles C4'-P-C4' energy: -119.672 flat angles P-C4'-P energy: -94.170 tors. eta vs tors. theta energy: -139.664 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: 458 Temperature: 1.250000 Total energy: -1719.329947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.329947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.329947 (E_RNA) where: Base-Base interactions energy: -1191.284 where: short stacking energy: -511.315 Base-Backbone interact. energy: -3.239 local terms energy: -524.807466 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -104.527 flat angles C4'-P-C4' energy: -131.690 flat angles P-C4'-P energy: -65.981 tors. eta vs tors. theta energy: -110.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1571.207577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.207577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.207577 (E_RNA) where: Base-Base interactions energy: -1082.387 where: short stacking energy: -490.745 Base-Backbone interact. energy: -1.808 local terms energy: -487.012328 where: bonds (distance) C4'-P energy: -96.390 bonds (distance) P-C4' energy: -116.152 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -100.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1243.911994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.911994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.911994 (E_RNA) where: Base-Base interactions energy: -781.311 where: short stacking energy: -359.165 Base-Backbone interact. energy: -2.005 local terms energy: -460.595466 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -111.689 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: -64.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2495.330423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.330423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.330423 (E_RNA) where: Base-Base interactions energy: -1759.423 where: short stacking energy: -740.836 Base-Backbone interact. energy: -4.660 local terms energy: -731.246814 where: bonds (distance) C4'-P energy: -134.736 bonds (distance) P-C4' energy: -139.369 flat angles C4'-P-C4' energy: -147.824 flat angles P-C4'-P energy: -105.700 tors. eta vs tors. theta energy: -203.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2413.095392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.095392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.095392 (E_RNA) where: Base-Base interactions energy: -1677.769 where: short stacking energy: -734.273 Base-Backbone interact. energy: -2.684 local terms energy: -732.642690 where: bonds (distance) C4'-P energy: -138.322 bonds (distance) P-C4' energy: -128.375 flat angles C4'-P-C4' energy: -155.090 flat angles P-C4'-P energy: -102.382 tors. eta vs tors. theta energy: -208.474 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: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2390.706222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.706222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.706222 (E_RNA) where: Base-Base interactions energy: -1681.307 where: short stacking energy: -721.253 Base-Backbone interact. energy: -1.382 local terms energy: -708.017528 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -133.381 flat angles C4'-P-C4' energy: -148.691 flat angles P-C4'-P energy: -113.185 tors. eta vs tors. theta energy: -192.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2234.956516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.956516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.956516 (E_RNA) where: Base-Base interactions energy: -1546.415 where: short stacking energy: -678.645 Base-Backbone interact. energy: -3.224 local terms energy: -685.317528 where: bonds (distance) C4'-P energy: -115.683 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -140.591 flat angles P-C4'-P energy: -96.663 tors. eta vs tors. theta energy: -197.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2158.507471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.507471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.507471 (E_RNA) where: Base-Base interactions energy: -1503.694 where: short stacking energy: -643.992 Base-Backbone interact. energy: -3.409 local terms energy: -651.404803 where: bonds (distance) C4'-P energy: -116.668 bonds (distance) P-C4' energy: -119.747 flat angles C4'-P-C4' energy: -153.887 flat angles P-C4'-P energy: -97.159 tors. eta vs tors. theta energy: -163.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1975.972252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.972252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.972252 (E_RNA) where: Base-Base interactions energy: -1370.377 where: short stacking energy: -589.858 Base-Backbone interact. energy: -3.208 local terms energy: -602.387423 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -125.230 flat angles C4'-P-C4' energy: -120.364 flat angles P-C4'-P energy: -88.037 tors. eta vs tors. theta energy: -140.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2019.457434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.457434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.457434 (E_RNA) where: Base-Base interactions energy: -1412.278 where: short stacking energy: -594.095 Base-Backbone interact. energy: -3.228 local terms energy: -603.951005 where: bonds (distance) C4'-P energy: -121.321 bonds (distance) P-C4' energy: -106.000 flat angles C4'-P-C4' energy: -134.674 flat angles P-C4'-P energy: -81.789 tors. eta vs tors. theta energy: -160.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1735.664189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.664189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.664189 (E_RNA) where: Base-Base interactions energy: -1201.838 where: short stacking energy: -529.691 Base-Backbone interact. energy: -1.144 local terms energy: -532.682074 where: bonds (distance) C4'-P energy: -91.118 bonds (distance) P-C4' energy: -98.094 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -126.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1598.391323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.391323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.391323 (E_RNA) where: Base-Base interactions energy: -1110.116 where: short stacking energy: -480.433 Base-Backbone interact. energy: -4.068 local terms energy: -484.207469 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -110.108 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -95.557 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: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1243.131309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.131309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.131309 (E_RNA) where: Base-Base interactions energy: -808.621 where: short stacking energy: -365.858 Base-Backbone interact. energy: 0.781 local terms energy: -435.291192 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -119.206 flat angles C4'-P-C4' energy: -95.664 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -46.697 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: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2527.038002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.038002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.038002 (E_RNA) where: Base-Base interactions energy: -1790.315 where: short stacking energy: -768.031 Base-Backbone interact. energy: 5.242 local terms energy: -741.965350 where: bonds (distance) C4'-P energy: -137.092 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -157.416 flat angles P-C4'-P energy: -101.649 tors. eta vs tors. theta energy: -212.139 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: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2408.686927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.686927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.686927 (E_RNA) where: Base-Base interactions energy: -1690.999 where: short stacking energy: -761.682 Base-Backbone interact. energy: -3.628 local terms energy: -714.060275 where: bonds (distance) C4'-P energy: -132.721 bonds (distance) P-C4' energy: -134.143 flat angles C4'-P-C4' energy: -148.201 flat angles P-C4'-P energy: -91.843 tors. eta vs tors. theta energy: -207.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2376.226253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.226253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.226253 (E_RNA) where: Base-Base interactions energy: -1686.578 where: short stacking energy: -732.472 Base-Backbone interact. energy: -4.753 local terms energy: -684.895120 where: bonds (distance) C4'-P energy: -125.741 bonds (distance) P-C4' energy: -131.622 flat angles C4'-P-C4' energy: -140.874 flat angles P-C4'-P energy: -102.579 tors. eta vs tors. theta energy: -184.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2250.557285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.557285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.557285 (E_RNA) where: Base-Base interactions energy: -1555.235 where: short stacking energy: -693.019 Base-Backbone interact. energy: -1.580 local terms energy: -693.743205 where: bonds (distance) C4'-P energy: -121.026 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -152.727 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -190.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2110.109775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.109775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.109775 (E_RNA) where: Base-Base interactions energy: -1498.003 where: short stacking energy: -622.786 Base-Backbone interact. energy: -4.435 local terms energy: -607.671173 where: bonds (distance) C4'-P energy: -100.458 bonds (distance) P-C4' energy: -118.081 flat angles C4'-P-C4' energy: -142.658 flat angles P-C4'-P energy: -84.474 tors. eta vs tors. theta energy: -162.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1971.139768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.139768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.139768 (E_RNA) where: Base-Base interactions energy: -1360.280 where: short stacking energy: -584.043 Base-Backbone interact. energy: -3.353 local terms energy: -607.506818 where: bonds (distance) C4'-P energy: -114.611 bonds (distance) P-C4' energy: -130.310 flat angles C4'-P-C4' energy: -142.281 flat angles P-C4'-P energy: -82.095 tors. eta vs tors. theta energy: -138.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1958.462588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.462588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.462588 (E_RNA) where: Base-Base interactions energy: -1362.648 where: short stacking energy: -617.775 Base-Backbone interact. energy: -0.112 local terms energy: -595.702321 where: bonds (distance) C4'-P energy: -111.721 bonds (distance) P-C4' energy: -124.474 flat angles C4'-P-C4' energy: -121.951 flat angles P-C4'-P energy: -76.372 tors. eta vs tors. theta energy: -161.184 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: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1732.030612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.030612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.030612 (E_RNA) where: Base-Base interactions energy: -1173.187 where: short stacking energy: -527.522 Base-Backbone interact. energy: -3.846 local terms energy: -554.998128 where: bonds (distance) C4'-P energy: -105.745 bonds (distance) P-C4' energy: -107.167 flat angles C4'-P-C4' energy: -132.870 flat angles P-C4'-P energy: -90.220 tors. eta vs tors. theta energy: -118.996 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: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1575.854178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.854178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.854178 (E_RNA) where: Base-Base interactions energy: -1077.347 where: short stacking energy: -447.091 Base-Backbone interact. energy: 1.235 local terms energy: -499.742440 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -125.446 flat angles C4'-P-C4' energy: -113.630 flat angles P-C4'-P energy: -69.055 tors. eta vs tors. theta energy: -92.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1275.738546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.738546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.738546 (E_RNA) where: Base-Base interactions energy: -807.553 where: short stacking energy: -367.434 Base-Backbone interact. energy: 0.673 local terms energy: -468.858763 where: bonds (distance) C4'-P energy: -97.203 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -64.766 tors. eta vs tors. theta energy: -65.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2511.608256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.608256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.608256 (E_RNA) where: Base-Base interactions energy: -1757.593 where: short stacking energy: -740.767 Base-Backbone interact. energy: -8.627 local terms energy: -745.387548 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -129.781 flat angles C4'-P-C4' energy: -156.218 flat angles P-C4'-P energy: -111.709 tors. eta vs tors. theta energy: -211.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2425.751436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.751436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.751436 (E_RNA) where: Base-Base interactions energy: -1715.885 where: short stacking energy: -740.419 Base-Backbone interact. energy: -2.363 local terms energy: -707.503727 where: bonds (distance) C4'-P energy: -120.568 bonds (distance) P-C4' energy: -131.646 flat angles C4'-P-C4' energy: -154.877 flat angles P-C4'-P energy: -97.667 tors. eta vs tors. theta energy: -202.746 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: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2385.461715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.461715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.461715 (E_RNA) where: Base-Base interactions energy: -1693.607 where: short stacking energy: -728.664 Base-Backbone interact. energy: -1.630 local terms energy: -690.224516 where: bonds (distance) C4'-P energy: -123.226 bonds (distance) P-C4' energy: -119.273 flat angles C4'-P-C4' energy: -139.283 flat angles P-C4'-P energy: -111.243 tors. eta vs tors. theta energy: -197.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2219.488481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.488481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.488481 (E_RNA) where: Base-Base interactions energy: -1543.741 where: short stacking energy: -685.653 Base-Backbone interact. energy: -1.460 local terms energy: -674.673116 where: bonds (distance) C4'-P energy: -123.869 bonds (distance) P-C4' energy: -138.379 flat angles C4'-P-C4' energy: -137.324 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -182.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2143.547813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.547813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.547813 (E_RNA) where: Base-Base interactions energy: -1477.879 where: short stacking energy: -614.750 Base-Backbone interact. energy: -0.871 local terms energy: -664.797804 where: bonds (distance) C4'-P energy: -114.625 bonds (distance) P-C4' energy: -123.085 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -178.164 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1983.326241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.326241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.326241 (E_RNA) where: Base-Base interactions energy: -1375.528 where: short stacking energy: -603.962 Base-Backbone interact. energy: -1.447 local terms energy: -606.351366 where: bonds (distance) C4'-P energy: -114.333 bonds (distance) P-C4' energy: -118.665 flat angles C4'-P-C4' energy: -133.450 flat angles P-C4'-P energy: -83.118 tors. eta vs tors. theta energy: -156.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1915.409187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.409187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.409187 (E_RNA) where: Base-Base interactions energy: -1337.817 where: short stacking energy: -565.725 Base-Backbone interact. energy: 0.819 local terms energy: -578.410603 where: bonds (distance) C4'-P energy: -103.107 bonds (distance) P-C4' energy: -110.637 flat angles C4'-P-C4' energy: -134.933 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -142.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1753.209682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.209682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.209682 (E_RNA) where: Base-Base interactions energy: -1184.472 where: short stacking energy: -526.689 Base-Backbone interact. energy: -0.724 local terms energy: -568.013393 where: bonds (distance) C4'-P energy: -93.517 bonds (distance) P-C4' energy: -117.242 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -120.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1576.815077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.815077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.815077 (E_RNA) where: Base-Base interactions energy: -1068.632 where: short stacking energy: -457.574 Base-Backbone interact. energy: 0.007 local terms energy: -508.189562 where: bonds (distance) C4'-P energy: -99.516 bonds (distance) P-C4' energy: -117.625 flat angles C4'-P-C4' energy: -118.462 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -101.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1215.350767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.350767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.350767 (E_RNA) where: Base-Base interactions energy: -799.056 where: short stacking energy: -369.939 Base-Backbone interact. energy: 0.223 local terms energy: -416.516881 where: bonds (distance) C4'-P energy: -92.735 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -50.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2481.243311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.243311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.243311 (E_RNA) where: Base-Base interactions energy: -1747.630 where: short stacking energy: -735.837 Base-Backbone interact. energy: -5.330 local terms energy: -728.283849 where: bonds (distance) C4'-P energy: -135.405 bonds (distance) P-C4' energy: -130.486 flat angles C4'-P-C4' energy: -162.608 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -202.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2406.338397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.338397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.338397 (E_RNA) where: Base-Base interactions energy: -1680.414 where: short stacking energy: -722.849 Base-Backbone interact. energy: -4.417 local terms energy: -721.507309 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -133.514 flat angles C4'-P-C4' energy: -152.192 flat angles P-C4'-P energy: -93.026 tors. eta vs tors. theta energy: -207.972 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: 462 Temperature: 1.000000 Total energy: -2389.332520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.332520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.332520 (E_RNA) where: Base-Base interactions energy: -1695.536 where: short stacking energy: -705.438 Base-Backbone interact. energy: -3.401 local terms energy: -691.011621 where: bonds (distance) C4'-P energy: -129.234 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -147.813 flat angles P-C4'-P energy: -94.654 tors. eta vs tors. theta energy: -196.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.616 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2252.856537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.856537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.856537 (E_RNA) where: Base-Base interactions energy: -1541.511 where: short stacking energy: -680.457 Base-Backbone interact. energy: -0.460 local terms energy: -711.285553 where: bonds (distance) C4'-P energy: -131.760 bonds (distance) P-C4' energy: -123.832 flat angles C4'-P-C4' energy: -155.915 flat angles P-C4'-P energy: -103.170 tors. eta vs tors. theta energy: -196.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2162.151468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.151468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.151468 (E_RNA) where: Base-Base interactions energy: -1536.695 where: short stacking energy: -662.262 Base-Backbone interact. energy: -1.264 local terms energy: -624.192627 where: bonds (distance) C4'-P energy: -123.338 bonds (distance) P-C4' energy: -106.519 flat angles C4'-P-C4' energy: -137.841 flat angles P-C4'-P energy: -91.401 tors. eta vs tors. theta energy: -165.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2023.747796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.747796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.747796 (E_RNA) where: Base-Base interactions energy: -1369.392 where: short stacking energy: -610.148 Base-Backbone interact. energy: -0.695 local terms energy: -653.660766 where: bonds (distance) C4'-P energy: -121.869 bonds (distance) P-C4' energy: -122.925 flat angles C4'-P-C4' energy: -142.418 flat angles P-C4'-P energy: -102.362 tors. eta vs tors. theta energy: -164.087 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: 7, replica: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1878.401373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.401373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.401373 (E_RNA) where: Base-Base interactions energy: -1292.071 where: short stacking energy: -542.708 Base-Backbone interact. energy: 3.139 local terms energy: -589.527639 where: bonds (distance) C4'-P energy: -127.129 bonds (distance) P-C4' energy: -112.416 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -77.393 tors. eta vs tors. theta energy: -126.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1772.369709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.369709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.369709 (E_RNA) where: Base-Base interactions energy: -1221.217 where: short stacking energy: -544.109 Base-Backbone interact. energy: -2.347 local terms energy: -548.805392 where: bonds (distance) C4'-P energy: -130.067 bonds (distance) P-C4' energy: -106.218 flat angles C4'-P-C4' energy: -117.979 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -112.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1620.944881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.944881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.944881 (E_RNA) where: Base-Base interactions energy: -1100.614 where: short stacking energy: -481.753 Base-Backbone interact. energy: -0.260 local terms energy: -520.071131 where: bonds (distance) C4'-P energy: -125.387 bonds (distance) P-C4' energy: -107.082 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -59.468 tors. eta vs tors. theta energy: -105.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1300.297684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.297684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.297684 (E_RNA) where: Base-Base interactions energy: -851.105 where: short stacking energy: -369.671 Base-Backbone interact. energy: 0.782 local terms energy: -449.974413 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -130.142 flat angles C4'-P-C4' energy: -84.144 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -65.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2514.677597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.677597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.677597 (E_RNA) where: Base-Base interactions energy: -1792.208 where: short stacking energy: -757.272 Base-Backbone interact. energy: 3.345 local terms energy: -725.815237 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -132.452 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -214.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2470.722923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.722923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.722923 (E_RNA) where: Base-Base interactions energy: -1736.848 where: short stacking energy: -739.355 Base-Backbone interact. energy: -3.507 local terms energy: -730.368231 where: bonds (distance) C4'-P energy: -140.396 bonds (distance) P-C4' energy: -140.594 flat angles C4'-P-C4' energy: -160.506 flat angles P-C4'-P energy: -88.534 tors. eta vs tors. theta energy: -200.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2349.366332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.366332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.366332 (E_RNA) where: Base-Base interactions energy: -1638.051 where: short stacking energy: -706.360 Base-Backbone interact. energy: -2.895 local terms energy: -708.420860 where: bonds (distance) C4'-P energy: -110.314 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -167.944 flat angles P-C4'-P energy: -104.076 tors. eta vs tors. theta energy: -194.079 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: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2231.007419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.007419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.007419 (E_RNA) where: Base-Base interactions energy: -1550.578 where: short stacking energy: -696.359 Base-Backbone interact. energy: -2.460 local terms energy: -677.969669 where: bonds (distance) C4'-P energy: -132.476 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -142.231 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: -187.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2197.647829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.647829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.647829 (E_RNA) where: Base-Base interactions energy: -1553.671 where: short stacking energy: -673.466 Base-Backbone interact. energy: -0.161 local terms energy: -643.815475 where: bonds (distance) C4'-P energy: -111.377 bonds (distance) P-C4' energy: -127.983 flat angles C4'-P-C4' energy: -135.014 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -186.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2020.877260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.877260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.877260 (E_RNA) where: Base-Base interactions energy: -1397.420 where: short stacking energy: -605.492 Base-Backbone interact. energy: -4.475 local terms energy: -618.982052 where: bonds (distance) C4'-P energy: -113.507 bonds (distance) P-C4' energy: -127.095 flat angles C4'-P-C4' energy: -131.454 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -152.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1859.348101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.348101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.348101 (E_RNA) where: Base-Base interactions energy: -1271.300 where: short stacking energy: -550.514 Base-Backbone interact. energy: 0.090 local terms energy: -588.138875 where: bonds (distance) C4'-P energy: -107.923 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -147.577 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -144.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1794.171994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.171994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.171994 (E_RNA) where: Base-Base interactions energy: -1224.387 where: short stacking energy: -524.473 Base-Backbone interact. energy: 1.802 local terms energy: -571.586637 where: bonds (distance) C4'-P energy: -118.290 bonds (distance) P-C4' energy: -119.275 flat angles C4'-P-C4' energy: -130.842 flat angles P-C4'-P energy: -80.625 tors. eta vs tors. theta energy: -122.555 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: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1595.696051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.696051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.696051 (E_RNA) where: Base-Base interactions energy: -1083.763 where: short stacking energy: -459.940 Base-Backbone interact. energy: -2.253 local terms energy: -509.679994 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -130.252 flat angles C4'-P-C4' energy: -125.403 flat angles P-C4'-P energy: -53.199 tors. eta vs tors. theta energy: -89.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1239.262643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.262643 (E_RNA) where: Base-Base interactions energy: -814.141 where: short stacking energy: -355.864 Base-Backbone interact. energy: -2.880 local terms energy: -422.241513 where: bonds (distance) C4'-P energy: -102.491 bonds (distance) P-C4' energy: -99.432 flat angles C4'-P-C4' energy: -106.837 flat angles P-C4'-P energy: -73.203 tors. eta vs tors. theta energy: -40.278 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: 464 Temperature: 0.900000 Total energy: -2503.197860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.197860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.197860 (E_RNA) where: Base-Base interactions energy: -1779.169 where: short stacking energy: -713.581 Base-Backbone interact. energy: -4.040 local terms energy: -719.988257 where: bonds (distance) C4'-P energy: -127.988 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -160.175 flat angles P-C4'-P energy: -114.332 tors. eta vs tors. theta energy: -197.813 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: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2462.780014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.780014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.780014 (E_RNA) where: Base-Base interactions energy: -1759.413 where: short stacking energy: -737.547 Base-Backbone interact. energy: 5.234 local terms energy: -708.601184 where: bonds (distance) C4'-P energy: -118.489 bonds (distance) P-C4' energy: -128.059 flat angles C4'-P-C4' energy: -150.934 flat angles P-C4'-P energy: -101.074 tors. eta vs tors. theta energy: -210.046 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: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2386.008588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.008588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.008588 (E_RNA) where: Base-Base interactions energy: -1646.889 where: short stacking energy: -711.998 Base-Backbone interact. energy: -3.489 local terms energy: -735.630542 where: bonds (distance) C4'-P energy: -140.305 bonds (distance) P-C4' energy: -144.346 flat angles C4'-P-C4' energy: -146.194 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -210.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2224.938289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.938289 (E_RNA) where: Base-Base interactions energy: -1525.456 where: short stacking energy: -688.076 Base-Backbone interact. energy: -0.446 local terms energy: -699.036883 where: bonds (distance) C4'-P energy: -129.510 bonds (distance) P-C4' energy: -135.356 flat angles C4'-P-C4' energy: -142.702 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -187.656 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: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2181.998561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.998561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.998561 (E_RNA) where: Base-Base interactions energy: -1541.145 where: short stacking energy: -642.821 Base-Backbone interact. energy: -0.361 local terms energy: -640.492789 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -143.785 flat angles C4'-P-C4' energy: -130.070 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -159.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2078.190102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.190102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.190102 (E_RNA) where: Base-Base interactions energy: -1434.612 where: short stacking energy: -619.433 Base-Backbone interact. energy: -0.109 local terms energy: -643.468543 where: bonds (distance) C4'-P energy: -118.829 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -93.921 tors. eta vs tors. theta energy: -164.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1867.904730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.904730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.904730 (E_RNA) where: Base-Base interactions energy: -1317.433 where: short stacking energy: -575.022 Base-Backbone interact. energy: -1.651 local terms energy: -548.821160 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -104.737 flat angles C4'-P-C4' energy: -141.878 flat angles P-C4'-P energy: -81.178 tors. eta vs tors. theta energy: -132.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1782.293937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.293937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.293937 (E_RNA) where: Base-Base interactions energy: -1213.543 where: short stacking energy: -520.645 Base-Backbone interact. energy: -1.291 local terms energy: -567.460317 where: bonds (distance) C4'-P energy: -99.930 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -127.072 flat angles P-C4'-P energy: -81.484 tors. eta vs tors. theta energy: -124.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1578.088217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.088217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.088217 (E_RNA) where: Base-Base interactions energy: -1105.375 where: short stacking energy: -452.606 Base-Backbone interact. energy: -2.688 local terms energy: -470.025309 where: bonds (distance) C4'-P energy: -107.907 bonds (distance) P-C4' energy: -94.533 flat angles C4'-P-C4' energy: -123.965 flat angles P-C4'-P energy: -71.653 tors. eta vs tors. theta energy: -71.968 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: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1273.787259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.787259 (E_RNA) where: Base-Base interactions energy: -815.355 where: short stacking energy: -357.475 Base-Backbone interact. energy: -0.504 local terms energy: -457.928175 where: bonds (distance) C4'-P energy: -122.139 bonds (distance) P-C4' energy: -106.221 flat angles C4'-P-C4' energy: -100.193 flat angles P-C4'-P energy: -63.783 tors. eta vs tors. theta energy: -65.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2498.597291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.597291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.597291 (E_RNA) where: Base-Base interactions energy: -1761.461 where: short stacking energy: -739.391 Base-Backbone interact. energy: -4.565 local terms energy: -732.571552 where: bonds (distance) C4'-P energy: -143.098 bonds (distance) P-C4' energy: -127.579 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -106.092 tors. eta vs tors. theta energy: -194.179 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: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2446.346601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.346601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.346601 (E_RNA) where: Base-Base interactions energy: -1703.101 where: short stacking energy: -747.371 Base-Backbone interact. energy: -2.062 local terms energy: -741.183655 where: bonds (distance) C4'-P energy: -134.049 bonds (distance) P-C4' energy: -145.451 flat angles C4'-P-C4' energy: -157.096 flat angles P-C4'-P energy: -101.694 tors. eta vs tors. theta energy: -202.893 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: 465 Temperature: 1.000000 Total energy: -2363.213529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.213529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.213529 (E_RNA) where: Base-Base interactions energy: -1655.206 where: short stacking energy: -705.185 Base-Backbone interact. energy: 0.736 local terms energy: -708.743443 where: bonds (distance) C4'-P energy: -119.389 bonds (distance) P-C4' energy: -145.917 flat angles C4'-P-C4' energy: -152.081 flat angles P-C4'-P energy: -98.505 tors. eta vs tors. theta energy: -192.852 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: 465 Temperature: 1.050000 Total energy: -2267.691489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.691489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.691489 (E_RNA) where: Base-Base interactions energy: -1575.151 where: short stacking energy: -679.953 Base-Backbone interact. energy: -5.628 local terms energy: -686.912570 where: bonds (distance) C4'-P energy: -134.239 bonds (distance) P-C4' energy: -126.244 flat angles C4'-P-C4' energy: -130.375 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: -204.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2191.212365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.212365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.212365 (E_RNA) where: Base-Base interactions energy: -1517.285 where: short stacking energy: -656.810 Base-Backbone interact. energy: -1.370 local terms energy: -672.556794 where: bonds (distance) C4'-P energy: -123.717 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -142.602 flat angles P-C4'-P energy: -109.023 tors. eta vs tors. theta energy: -175.856 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: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2018.917650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.917650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.917650 (E_RNA) where: Base-Base interactions energy: -1396.036 where: short stacking energy: -627.685 Base-Backbone interact. energy: 0.354 local terms energy: -623.235938 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -118.652 flat angles C4'-P-C4' energy: -128.240 flat angles P-C4'-P energy: -88.727 tors. eta vs tors. theta energy: -163.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1862.681154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.681154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.681154 (E_RNA) where: Base-Base interactions energy: -1300.302 where: short stacking energy: -558.043 Base-Backbone interact. energy: -2.852 local terms energy: -559.527554 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -119.865 flat angles C4'-P-C4' energy: -127.959 flat angles P-C4'-P energy: -76.945 tors. eta vs tors. theta energy: -142.309 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: 3 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1791.156399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.156399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.156399 (E_RNA) where: Base-Base interactions energy: -1254.912 where: short stacking energy: -543.176 Base-Backbone interact. energy: -2.478 local terms energy: -533.882693 where: bonds (distance) C4'-P energy: -92.770 bonds (distance) P-C4' energy: -122.577 flat angles C4'-P-C4' energy: -131.943 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -135.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1618.180359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.180359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.180359 (E_RNA) where: Base-Base interactions energy: -1106.921 where: short stacking energy: -478.967 Base-Backbone interact. energy: -1.862 local terms energy: -509.398037 where: bonds (distance) C4'-P energy: -93.140 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -127.854 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -97.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1274.523881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.523881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.523881 (E_RNA) where: Base-Base interactions energy: -828.643 where: short stacking energy: -367.732 Base-Backbone interact. energy: -0.902 local terms energy: -444.978880 where: bonds (distance) C4'-P energy: -110.301 bonds (distance) P-C4' energy: -112.337 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -78.665 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: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2506.590417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.590417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.590417 (E_RNA) where: Base-Base interactions energy: -1758.712 where: short stacking energy: -759.567 Base-Backbone interact. energy: -3.058 local terms energy: -744.819582 where: bonds (distance) C4'-P energy: -132.415 bonds (distance) P-C4' energy: -141.999 flat angles C4'-P-C4' energy: -159.867 flat angles P-C4'-P energy: -99.637 tors. eta vs tors. theta energy: -210.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2490.317063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.317063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.317063 (E_RNA) where: Base-Base interactions energy: -1781.346 where: short stacking energy: -722.088 Base-Backbone interact. energy: -6.771 local terms energy: -702.199868 where: bonds (distance) C4'-P energy: -127.670 bonds (distance) P-C4' energy: -129.265 flat angles C4'-P-C4' energy: -153.449 flat angles P-C4'-P energy: -99.026 tors. eta vs tors. theta energy: -192.790 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: 466 Temperature: 1.000000 Total energy: -2367.181025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.181025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.181025 (E_RNA) where: Base-Base interactions energy: -1642.244 where: short stacking energy: -699.033 Base-Backbone interact. energy: -0.195 local terms energy: -724.742763 where: bonds (distance) C4'-P energy: -130.549 bonds (distance) P-C4' energy: -134.274 flat angles C4'-P-C4' energy: -151.727 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -203.682 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: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2247.960705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.960705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.960705 (E_RNA) where: Base-Base interactions energy: -1547.609 where: short stacking energy: -693.688 Base-Backbone interact. energy: -0.324 local terms energy: -700.027791 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -134.891 flat angles C4'-P-C4' energy: -153.507 flat angles P-C4'-P energy: -90.330 tors. eta vs tors. theta energy: -199.583 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: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2201.341673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.341673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.341673 (E_RNA) where: Base-Base interactions energy: -1550.948 where: short stacking energy: -660.710 Base-Backbone interact. energy: -0.713 local terms energy: -649.681476 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -124.962 flat angles C4'-P-C4' energy: -127.279 flat angles P-C4'-P energy: -92.997 tors. eta vs tors. theta energy: -182.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2008.824954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.824954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.824954 (E_RNA) where: Base-Base interactions energy: -1426.043 where: short stacking energy: -619.907 Base-Backbone interact. energy: 1.065 local terms energy: -583.846870 where: bonds (distance) C4'-P energy: -108.517 bonds (distance) P-C4' energy: -105.600 flat angles C4'-P-C4' energy: -139.395 flat angles P-C4'-P energy: -77.657 tors. eta vs tors. theta energy: -152.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1912.409896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.409896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.409896 (E_RNA) where: Base-Base interactions energy: -1336.767 where: short stacking energy: -562.862 Base-Backbone interact. energy: -1.675 local terms energy: -573.967775 where: bonds (distance) C4'-P energy: -108.715 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -129.102 flat angles P-C4'-P energy: -91.116 tors. eta vs tors. theta energy: -136.006 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: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1855.407935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.407935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.407935 (E_RNA) where: Base-Base interactions energy: -1309.677 where: short stacking energy: -566.802 Base-Backbone interact. energy: -0.185 local terms energy: -545.546326 where: bonds (distance) C4'-P energy: -97.427 bonds (distance) P-C4' energy: -119.462 flat angles C4'-P-C4' energy: -123.260 flat angles P-C4'-P energy: -86.032 tors. eta vs tors. theta energy: -119.366 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: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1643.529711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.529711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.529711 (E_RNA) where: Base-Base interactions energy: -1105.166 where: short stacking energy: -491.140 Base-Backbone interact. energy: -2.057 local terms energy: -536.306682 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -110.371 flat angles C4'-P-C4' energy: -127.308 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -109.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1317.327680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.327680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.327680 (E_RNA) where: Base-Base interactions energy: -877.676 where: short stacking energy: -390.644 Base-Backbone interact. energy: -1.584 local terms energy: -438.067900 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -111.601 flat angles C4'-P-C4' energy: -108.158 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -71.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2522.095074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.095074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.095074 (E_RNA) where: Base-Base interactions energy: -1779.261 where: short stacking energy: -751.467 Base-Backbone interact. energy: 3.314 local terms energy: -746.147777 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -159.430 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -205.379 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: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2436.885742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.885742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.885742 (E_RNA) where: Base-Base interactions energy: -1727.662 where: short stacking energy: -714.046 Base-Backbone interact. energy: -4.307 local terms energy: -704.916918 where: bonds (distance) C4'-P energy: -133.899 bonds (distance) P-C4' energy: -143.782 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -93.267 tors. eta vs tors. theta energy: -185.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2373.881152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.881152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.881152 (E_RNA) where: Base-Base interactions energy: -1667.144 where: short stacking energy: -723.647 Base-Backbone interact. energy: -2.868 local terms energy: -703.869021 where: bonds (distance) C4'-P energy: -111.893 bonds (distance) P-C4' energy: -122.908 flat angles C4'-P-C4' energy: -153.617 flat angles P-C4'-P energy: -111.524 tors. eta vs tors. theta energy: -203.927 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: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2191.088756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.088756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.088756 (E_RNA) where: Base-Base interactions energy: -1511.420 where: short stacking energy: -658.216 Base-Backbone interact. energy: -4.105 local terms energy: -675.563665 where: bonds (distance) C4'-P energy: -109.717 bonds (distance) P-C4' energy: -143.696 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -172.117 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: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2195.982709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.982709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.982709 (E_RNA) where: Base-Base interactions energy: -1537.730 where: short stacking energy: -645.557 Base-Backbone interact. energy: -2.675 local terms energy: -655.577781 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -129.376 flat angles C4'-P-C4' energy: -138.363 flat angles P-C4'-P energy: -89.261 tors. eta vs tors. theta energy: -177.294 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: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2001.196947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.196947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.196947 (E_RNA) where: Base-Base interactions energy: -1386.932 where: short stacking energy: -606.682 Base-Backbone interact. energy: -4.418 local terms energy: -609.846723 where: bonds (distance) C4'-P energy: -100.903 bonds (distance) P-C4' energy: -134.306 flat angles C4'-P-C4' energy: -132.198 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -149.555 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: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1905.666240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.666240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.666240 (E_RNA) where: Base-Base interactions energy: -1321.586 where: short stacking energy: -553.955 Base-Backbone interact. energy: -1.116 local terms energy: -583.174265 where: bonds (distance) C4'-P energy: -111.754 bonds (distance) P-C4' energy: -119.668 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -133.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.210 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1883.708174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.708174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.708174 (E_RNA) where: Base-Base interactions energy: -1280.455 where: short stacking energy: -553.298 Base-Backbone interact. energy: -3.171 local terms energy: -600.082544 where: bonds (distance) C4'-P energy: -125.337 bonds (distance) P-C4' energy: -114.641 flat angles C4'-P-C4' energy: -141.487 flat angles P-C4'-P energy: -81.484 tors. eta vs tors. theta energy: -137.134 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: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1606.666165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.666165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.666165 (E_RNA) where: Base-Base interactions energy: -1103.362 where: short stacking energy: -484.681 Base-Backbone interact. energy: -1.635 local terms energy: -501.668968 where: bonds (distance) C4'-P energy: -102.439 bonds (distance) P-C4' energy: -124.818 flat angles C4'-P-C4' energy: -117.134 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: -103.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1272.735696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.735696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.735696 (E_RNA) where: Base-Base interactions energy: -849.797 where: short stacking energy: -385.158 Base-Backbone interact. energy: -2.185 local terms energy: -420.753501 where: bonds (distance) C4'-P energy: -109.126 bonds (distance) P-C4' energy: -121.320 flat angles C4'-P-C4' energy: -96.000 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -44.448 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: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2519.684933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.684933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.684933 (E_RNA) where: Base-Base interactions energy: -1745.513 where: short stacking energy: -772.752 Base-Backbone interact. energy: 0.137 local terms energy: -774.308344 where: bonds (distance) C4'-P energy: -145.248 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -159.737 flat angles P-C4'-P energy: -113.104 tors. eta vs tors. theta energy: -217.263 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: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2465.817845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.817845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.817845 (E_RNA) where: Base-Base interactions energy: -1731.958 where: short stacking energy: -723.032 Base-Backbone interact. energy: -2.547 local terms energy: -731.312469 where: bonds (distance) C4'-P energy: -144.581 bonds (distance) P-C4' energy: -137.352 flat angles C4'-P-C4' energy: -155.332 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -199.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2310.718495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.718495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.718495 (E_RNA) where: Base-Base interactions energy: -1585.648 where: short stacking energy: -701.021 Base-Backbone interact. energy: -2.220 local terms energy: -722.850759 where: bonds (distance) C4'-P energy: -130.328 bonds (distance) P-C4' energy: -135.816 flat angles C4'-P-C4' energy: -149.971 flat angles P-C4'-P energy: -101.482 tors. eta vs tors. theta energy: -205.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2192.204300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.204300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.204300 (E_RNA) where: Base-Base interactions energy: -1520.706 where: short stacking energy: -672.167 Base-Backbone interact. energy: -1.403 local terms energy: -670.095509 where: bonds (distance) C4'-P energy: -128.099 bonds (distance) P-C4' energy: -125.433 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -99.471 tors. eta vs tors. theta energy: -172.181 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: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2177.096040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.096040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.096040 (E_RNA) where: Base-Base interactions energy: -1527.721 where: short stacking energy: -655.759 Base-Backbone interact. energy: -2.747 local terms energy: -646.628171 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -125.793 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: -171.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2031.691234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.691234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.691234 (E_RNA) where: Base-Base interactions energy: -1408.069 where: short stacking energy: -618.943 Base-Backbone interact. energy: -1.457 local terms energy: -622.164747 where: bonds (distance) C4'-P energy: -116.016 bonds (distance) P-C4' energy: -127.728 flat angles C4'-P-C4' energy: -137.024 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -149.167 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: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1896.709858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.709858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.709858 (E_RNA) where: Base-Base interactions energy: -1329.526 where: short stacking energy: -559.018 Base-Backbone interact. energy: -1.067 local terms energy: -566.116825 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -114.532 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -75.305 tors. eta vs tors. theta energy: -138.209 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: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1798.353415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.353415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.353415 (E_RNA) where: Base-Base interactions energy: -1238.845 where: short stacking energy: -522.163 Base-Backbone interact. energy: 0.006 local terms energy: -559.513994 where: bonds (distance) C4'-P energy: -113.277 bonds (distance) P-C4' energy: -123.844 flat angles C4'-P-C4' energy: -130.443 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -123.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1668.288870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.288870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.288870 (E_RNA) where: Base-Base interactions energy: -1160.289 where: short stacking energy: -491.380 Base-Backbone interact. energy: -1.575 local terms energy: -506.424919 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -124.931 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -101.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1294.171572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.171572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.171572 (E_RNA) where: Base-Base interactions energy: -869.331 where: short stacking energy: -389.632 Base-Backbone interact. energy: 1.825 local terms energy: -426.665198 where: bonds (distance) C4'-P energy: -110.337 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -51.056 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: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2501.058281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.058281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.058281 (E_RNA) where: Base-Base interactions energy: -1756.775 where: short stacking energy: -759.527 Base-Backbone interact. energy: -3.683 local terms energy: -740.600774 where: bonds (distance) C4'-P energy: -125.463 bonds (distance) P-C4' energy: -135.566 flat angles C4'-P-C4' energy: -162.774 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -213.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2440.703628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.703628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.703628 (E_RNA) where: Base-Base interactions energy: -1703.391 where: short stacking energy: -714.171 Base-Backbone interact. energy: -5.363 local terms energy: -731.949187 where: bonds (distance) C4'-P energy: -144.180 bonds (distance) P-C4' energy: -134.429 flat angles C4'-P-C4' energy: -152.278 flat angles P-C4'-P energy: -102.558 tors. eta vs tors. theta energy: -198.504 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: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2372.957510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.957510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.957510 (E_RNA) where: Base-Base interactions energy: -1643.069 where: short stacking energy: -740.942 Base-Backbone interact. energy: -2.885 local terms energy: -727.004312 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -137.162 flat angles C4'-P-C4' energy: -146.055 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -216.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2204.877115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.877115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.877115 (E_RNA) where: Base-Base interactions energy: -1545.666 where: short stacking energy: -639.350 Base-Backbone interact. energy: -3.536 local terms energy: -655.674473 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -116.108 flat angles C4'-P-C4' energy: -151.631 flat angles P-C4'-P energy: -88.729 tors. eta vs tors. theta energy: -162.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2125.381848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.381848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.381848 (E_RNA) where: Base-Base interactions energy: -1443.406 where: short stacking energy: -608.575 Base-Backbone interact. energy: -1.429 local terms energy: -680.547018 where: bonds (distance) C4'-P energy: -118.179 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -103.829 tors. eta vs tors. theta energy: -177.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2040.418617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.418617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.418617 (E_RNA) where: Base-Base interactions energy: -1407.849 where: short stacking energy: -660.210 Base-Backbone interact. energy: 0.701 local terms energy: -633.270421 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -116.879 flat angles C4'-P-C4' energy: -129.454 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -175.988 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: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1868.857416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.857416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.857416 (E_RNA) where: Base-Base interactions energy: -1280.530 where: short stacking energy: -547.518 Base-Backbone interact. energy: -1.759 local terms energy: -586.568210 where: bonds (distance) C4'-P energy: -118.251 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -137.626 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -126.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1858.915095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.915095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.915095 (E_RNA) where: Base-Base interactions energy: -1304.538 where: short stacking energy: -545.977 Base-Backbone interact. energy: -1.145 local terms energy: -553.231853 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -90.339 tors. eta vs tors. theta energy: -132.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1703.611676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.611676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.611676 (E_RNA) where: Base-Base interactions energy: -1180.960 where: short stacking energy: -512.098 Base-Backbone interact. energy: -0.076 local terms energy: -522.575093 where: bonds (distance) C4'-P energy: -99.482 bonds (distance) P-C4' energy: -95.886 flat angles C4'-P-C4' energy: -114.588 flat angles P-C4'-P energy: -91.917 tors. eta vs tors. theta energy: -120.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1286.939329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.939329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.939329 (E_RNA) where: Base-Base interactions energy: -855.997 where: short stacking energy: -399.420 Base-Backbone interact. energy: 0.160 local terms energy: -431.101702 where: bonds (distance) C4'-P energy: -84.935 bonds (distance) P-C4' energy: -99.834 flat angles C4'-P-C4' energy: -112.703 flat angles P-C4'-P energy: -75.284 tors. eta vs tors. theta energy: -58.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2513.132568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.132568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.132568 (E_RNA) where: Base-Base interactions energy: -1782.055 where: short stacking energy: -777.699 Base-Backbone interact. energy: -0.846 local terms energy: -730.232271 where: bonds (distance) C4'-P energy: -131.545 bonds (distance) P-C4' energy: -124.132 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -107.490 tors. eta vs tors. theta energy: -210.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2433.907353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.907353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.907353 (E_RNA) where: Base-Base interactions energy: -1693.937 where: short stacking energy: -709.389 Base-Backbone interact. energy: -1.834 local terms energy: -738.136032 where: bonds (distance) C4'-P energy: -137.635 bonds (distance) P-C4' energy: -132.627 flat angles C4'-P-C4' energy: -167.593 flat angles P-C4'-P energy: -100.333 tors. eta vs tors. theta energy: -199.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2372.957597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.957597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.957597 (E_RNA) where: Base-Base interactions energy: -1650.815 where: short stacking energy: -747.742 Base-Backbone interact. energy: -3.705 local terms energy: -718.437535 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -129.901 flat angles C4'-P-C4' energy: -151.855 flat angles P-C4'-P energy: -100.561 tors. eta vs tors. theta energy: -214.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2255.072474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.072474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.072474 (E_RNA) where: Base-Base interactions energy: -1590.820 where: short stacking energy: -675.339 Base-Backbone interact. energy: 2.141 local terms energy: -666.393509 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -125.014 flat angles C4'-P-C4' energy: -158.184 flat angles P-C4'-P energy: -96.303 tors. eta vs tors. theta energy: -178.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2158.821828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.821828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.821828 (E_RNA) where: Base-Base interactions energy: -1492.476 where: short stacking energy: -651.697 Base-Backbone interact. energy: -1.824 local terms energy: -664.521509 where: bonds (distance) C4'-P energy: -130.756 bonds (distance) P-C4' energy: -128.869 flat angles C4'-P-C4' energy: -150.548 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -183.342 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1971.148633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.148633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.148633 (E_RNA) where: Base-Base interactions energy: -1374.594 where: short stacking energy: -602.545 Base-Backbone interact. energy: -4.271 local terms energy: -592.284117 where: bonds (distance) C4'-P energy: -112.688 bonds (distance) P-C4' energy: -115.209 flat angles C4'-P-C4' energy: -134.134 flat angles P-C4'-P energy: -76.798 tors. eta vs tors. theta energy: -153.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1829.807914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.807914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.807914 (E_RNA) where: Base-Base interactions energy: -1285.776 where: short stacking energy: -547.700 Base-Backbone interact. energy: 2.055 local terms energy: -546.086806 where: bonds (distance) C4'-P energy: -97.710 bonds (distance) P-C4' energy: -114.659 flat angles C4'-P-C4' energy: -121.138 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -127.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1873.190390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.190390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.190390 (E_RNA) where: Base-Base interactions energy: -1284.396 where: short stacking energy: -563.274 Base-Backbone interact. energy: 6.166 local terms energy: -594.959912 where: bonds (distance) C4'-P energy: -113.567 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -120.040 flat angles P-C4'-P energy: -100.585 tors. eta vs tors. theta energy: -143.749 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: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1634.539342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.539342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.539342 (E_RNA) where: Base-Base interactions energy: -1102.028 where: short stacking energy: -468.258 Base-Backbone interact. energy: -1.494 local terms energy: -531.017229 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -109.136 flat angles C4'-P-C4' energy: -131.306 flat angles P-C4'-P energy: -66.207 tors. eta vs tors. theta energy: -109.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1279.571716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.571716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.571716 (E_RNA) where: Base-Base interactions energy: -826.876 where: short stacking energy: -374.507 Base-Backbone interact. energy: 0.813 local terms energy: -453.509299 where: bonds (distance) C4'-P energy: -99.510 bonds (distance) P-C4' energy: -121.287 flat angles C4'-P-C4' energy: -115.134 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -65.006 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: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2535.683301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.683301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.683301 (E_RNA) where: Base-Base interactions energy: -1767.438 where: short stacking energy: -778.530 Base-Backbone interact. energy: -1.238 local terms energy: -767.006991 where: bonds (distance) C4'-P energy: -136.840 bonds (distance) P-C4' energy: -140.869 flat angles C4'-P-C4' energy: -166.594 flat angles P-C4'-P energy: -107.094 tors. eta vs tors. theta energy: -215.610 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: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2412.631247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.631247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.631247 (E_RNA) where: Base-Base interactions energy: -1704.067 where: short stacking energy: -716.877 Base-Backbone interact. energy: 0.855 local terms energy: -709.418987 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -142.433 flat angles C4'-P-C4' energy: -153.247 flat angles P-C4'-P energy: -100.055 tors. eta vs tors. theta energy: -188.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2330.411744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.411744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.411744 (E_RNA) where: Base-Base interactions energy: -1605.695 where: short stacking energy: -718.524 Base-Backbone interact. energy: -5.705 local terms energy: -719.011875 where: bonds (distance) C4'-P energy: -124.935 bonds (distance) P-C4' energy: -139.583 flat angles C4'-P-C4' energy: -150.581 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -216.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2243.167106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.167106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.167106 (E_RNA) where: Base-Base interactions energy: -1568.635 where: short stacking energy: -677.139 Base-Backbone interact. energy: 0.399 local terms energy: -674.931005 where: bonds (distance) C4'-P energy: -118.446 bonds (distance) P-C4' energy: -137.751 flat angles C4'-P-C4' energy: -143.075 flat angles P-C4'-P energy: -98.645 tors. eta vs tors. theta energy: -177.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2128.257753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.257753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.257753 (E_RNA) where: Base-Base interactions energy: -1442.373 where: short stacking energy: -645.660 Base-Backbone interact. energy: -2.657 local terms energy: -683.227893 where: bonds (distance) C4'-P energy: -129.431 bonds (distance) P-C4' energy: -115.207 flat angles C4'-P-C4' energy: -144.403 flat angles P-C4'-P energy: -98.978 tors. eta vs tors. theta energy: -195.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1990.446220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.446220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.446220 (E_RNA) where: Base-Base interactions energy: -1371.155 where: short stacking energy: -625.683 Base-Backbone interact. energy: -0.176 local terms energy: -619.115757 where: bonds (distance) C4'-P energy: -110.690 bonds (distance) P-C4' energy: -122.679 flat angles C4'-P-C4' energy: -133.219 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: -164.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1871.825479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.825479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.825479 (E_RNA) where: Base-Base interactions energy: -1299.140 where: short stacking energy: -539.925 Base-Backbone interact. energy: 0.138 local terms energy: -572.848042 where: bonds (distance) C4'-P energy: -113.478 bonds (distance) P-C4' energy: -125.569 flat angles C4'-P-C4' energy: -123.435 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: -128.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1805.106109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.106109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.106109 (E_RNA) where: Base-Base interactions energy: -1251.745 where: short stacking energy: -549.660 Base-Backbone interact. energy: 1.825 local terms energy: -555.185933 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -127.306 flat angles C4'-P-C4' energy: -136.641 flat angles P-C4'-P energy: -77.403 tors. eta vs tors. theta energy: -111.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1627.152904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.152904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.152904 (E_RNA) where: Base-Base interactions energy: -1127.398 where: short stacking energy: -482.649 Base-Backbone interact. energy: -0.532 local terms energy: -499.222706 where: bonds (distance) C4'-P energy: -87.404 bonds (distance) P-C4' energy: -125.886 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -105.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1298.704553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.704553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.704553 (E_RNA) where: Base-Base interactions energy: -868.910 where: short stacking energy: -354.798 Base-Backbone interact. energy: -2.064 local terms energy: -427.730454 where: bonds (distance) C4'-P energy: -110.476 bonds (distance) P-C4' energy: -107.055 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -69.255 tors. eta vs tors. theta energy: -47.486 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: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2497.376554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.376554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.376554 (E_RNA) where: Base-Base interactions energy: -1740.396 where: short stacking energy: -744.612 Base-Backbone interact. energy: -0.907 local terms energy: -756.073714 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -144.587 flat angles C4'-P-C4' energy: -159.129 flat angles P-C4'-P energy: -107.184 tors. eta vs tors. theta energy: -213.161 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: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2454.378341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.378341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.378341 (E_RNA) where: Base-Base interactions energy: -1742.096 where: short stacking energy: -726.944 Base-Backbone interact. energy: -2.567 local terms energy: -709.715291 where: bonds (distance) C4'-P energy: -110.225 bonds (distance) P-C4' energy: -147.906 flat angles C4'-P-C4' energy: -154.322 flat angles P-C4'-P energy: -95.302 tors. eta vs tors. theta energy: -201.960 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2344.229857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.229857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.229857 (E_RNA) where: Base-Base interactions energy: -1588.525 where: short stacking energy: -682.168 Base-Backbone interact. energy: -0.712 local terms energy: -754.992546 where: bonds (distance) C4'-P energy: -153.555 bonds (distance) P-C4' energy: -132.993 flat angles C4'-P-C4' energy: -154.767 flat angles P-C4'-P energy: -110.592 tors. eta vs tors. theta energy: -203.086 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: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2260.648836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.648836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.648836 (E_RNA) where: Base-Base interactions energy: -1577.321 where: short stacking energy: -713.000 Base-Backbone interact. energy: -0.283 local terms energy: -683.045074 where: bonds (distance) C4'-P energy: -120.481 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -101.668 tors. eta vs tors. theta energy: -190.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2177.104335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.104335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.104335 (E_RNA) where: Base-Base interactions energy: -1504.299 where: short stacking energy: -641.781 Base-Backbone interact. energy: 0.115 local terms energy: -672.920491 where: bonds (distance) C4'-P energy: -131.641 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -144.777 flat angles P-C4'-P energy: -89.080 tors. eta vs tors. theta energy: -191.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1983.476513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.476513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.476513 (E_RNA) where: Base-Base interactions energy: -1344.814 where: short stacking energy: -577.372 Base-Backbone interact. energy: -0.301 local terms energy: -638.361767 where: bonds (distance) C4'-P energy: -128.027 bonds (distance) P-C4' energy: -139.030 flat angles C4'-P-C4' energy: -123.662 flat angles P-C4'-P energy: -96.227 tors. eta vs tors. theta energy: -151.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1940.095084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.095084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.095084 (E_RNA) where: Base-Base interactions energy: -1321.885 where: short stacking energy: -586.909 Base-Backbone interact. energy: 0.375 local terms energy: -618.584972 where: bonds (distance) C4'-P energy: -124.397 bonds (distance) P-C4' energy: -124.170 flat angles C4'-P-C4' energy: -128.088 flat angles P-C4'-P energy: -89.372 tors. eta vs tors. theta energy: -152.558 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: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1789.577140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.577140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.577140 (E_RNA) where: Base-Base interactions energy: -1212.100 where: short stacking energy: -502.540 Base-Backbone interact. energy: -2.214 local terms energy: -575.262960 where: bonds (distance) C4'-P energy: -125.265 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -139.565 flat angles P-C4'-P energy: -88.123 tors. eta vs tors. theta energy: -112.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1655.874450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.874450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.874450 (E_RNA) where: Base-Base interactions energy: -1129.535 where: short stacking energy: -483.882 Base-Backbone interact. energy: -1.307 local terms energy: -525.032167 where: bonds (distance) C4'-P energy: -106.799 bonds (distance) P-C4' energy: -117.736 flat angles C4'-P-C4' energy: -111.685 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -97.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1324.670098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.670098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.670098 (E_RNA) where: Base-Base interactions energy: -887.293 where: short stacking energy: -376.098 Base-Backbone interact. energy: 3.405 local terms energy: -440.781850 where: bonds (distance) C4'-P energy: -99.181 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -88.488 flat angles P-C4'-P energy: -86.163 tors. eta vs tors. theta energy: -54.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2501.166798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.166798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.166798 (E_RNA) where: Base-Base interactions energy: -1763.313 where: short stacking energy: -756.576 Base-Backbone interact. energy: 4.711 local terms energy: -742.565310 where: bonds (distance) C4'-P energy: -129.950 bonds (distance) P-C4' energy: -134.091 flat angles C4'-P-C4' energy: -158.135 flat angles P-C4'-P energy: -109.372 tors. eta vs tors. theta energy: -211.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2437.457436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.457436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.457436 (E_RNA) where: Base-Base interactions energy: -1726.719 where: short stacking energy: -742.626 Base-Backbone interact. energy: -0.658 local terms energy: -710.079842 where: bonds (distance) C4'-P energy: -120.881 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -137.427 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -199.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2350.012614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.012614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.012614 (E_RNA) where: Base-Base interactions energy: -1656.169 where: short stacking energy: -703.810 Base-Backbone interact. energy: -0.967 local terms energy: -692.876727 where: bonds (distance) C4'-P energy: -110.682 bonds (distance) P-C4' energy: -136.491 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -101.599 tors. eta vs tors. theta energy: -204.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2234.957559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.957559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.957559 (E_RNA) where: Base-Base interactions energy: -1565.971 where: short stacking energy: -659.176 Base-Backbone interact. energy: -2.354 local terms energy: -666.631958 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -99.606 flat angles C4'-P-C4' energy: -139.983 flat angles P-C4'-P energy: -103.993 tors. eta vs tors. theta energy: -181.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2181.065777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.065777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.065777 (E_RNA) where: Base-Base interactions energy: -1498.166 where: short stacking energy: -685.454 Base-Backbone interact. energy: 3.058 local terms energy: -685.956994 where: bonds (distance) C4'-P energy: -128.179 bonds (distance) P-C4' energy: -128.004 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -190.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1964.382337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.382337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.382337 (E_RNA) where: Base-Base interactions energy: -1375.505 where: short stacking energy: -565.054 Base-Backbone interact. energy: -3.616 local terms energy: -585.261130 where: bonds (distance) C4'-P energy: -105.867 bonds (distance) P-C4' energy: -117.080 flat angles C4'-P-C4' energy: -133.209 flat angles P-C4'-P energy: -88.575 tors. eta vs tors. theta energy: -140.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1986.241303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.241303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.241303 (E_RNA) where: Base-Base interactions energy: -1362.606 where: short stacking energy: -603.744 Base-Backbone interact. energy: -3.360 local terms energy: -620.274899 where: bonds (distance) C4'-P energy: -122.258 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -131.413 flat angles P-C4'-P energy: -83.929 tors. eta vs tors. theta energy: -155.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1816.150856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.150856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.150856 (E_RNA) where: Base-Base interactions energy: -1276.793 where: short stacking energy: -555.499 Base-Backbone interact. energy: -1.849 local terms energy: -537.509285 where: bonds (distance) C4'-P energy: -97.233 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -130.261 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -133.801 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: 473 Temperature: 1.300000 Total energy: -1630.445759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.445759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.445759 (E_RNA) where: Base-Base interactions energy: -1120.537 where: short stacking energy: -491.065 Base-Backbone interact. energy: -0.075 local terms energy: -509.833083 where: bonds (distance) C4'-P energy: -100.804 bonds (distance) P-C4' energy: -116.744 flat angles C4'-P-C4' energy: -116.894 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -96.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1311.932512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.932512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.932512 (E_RNA) where: Base-Base interactions energy: -859.053 where: short stacking energy: -389.639 Base-Backbone interact. energy: -2.951 local terms energy: -449.929014 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -113.067 flat angles C4'-P-C4' energy: -115.535 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -54.513 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: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2516.008052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.008052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.008052 (E_RNA) where: Base-Base interactions energy: -1779.112 where: short stacking energy: -740.578 Base-Backbone interact. energy: -3.353 local terms energy: -733.543516 where: bonds (distance) C4'-P energy: -124.361 bonds (distance) P-C4' energy: -142.629 flat angles C4'-P-C4' energy: -161.408 flat angles P-C4'-P energy: -103.584 tors. eta vs tors. theta energy: -201.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2455.836607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.836607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.836607 (E_RNA) where: Base-Base interactions energy: -1716.454 where: short stacking energy: -719.836 Base-Backbone interact. energy: -2.779 local terms energy: -736.603502 where: bonds (distance) C4'-P energy: -134.046 bonds (distance) P-C4' energy: -128.867 flat angles C4'-P-C4' energy: -160.735 flat angles P-C4'-P energy: -102.582 tors. eta vs tors. theta energy: -210.373 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: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2379.781039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.781039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.781039 (E_RNA) where: Base-Base interactions energy: -1657.921 where: short stacking energy: -702.436 Base-Backbone interact. energy: -0.707 local terms energy: -721.152878 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -134.394 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -104.393 tors. eta vs tors. theta energy: -214.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2249.664605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.664605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.664605 (E_RNA) where: Base-Base interactions energy: -1561.801 where: short stacking energy: -671.821 Base-Backbone interact. energy: -1.601 local terms energy: -686.262616 where: bonds (distance) C4'-P energy: -113.427 bonds (distance) P-C4' energy: -138.420 flat angles C4'-P-C4' energy: -139.626 flat angles P-C4'-P energy: -104.561 tors. eta vs tors. theta energy: -190.228 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: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2139.706814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.706814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.706814 (E_RNA) where: Base-Base interactions energy: -1479.158 where: short stacking energy: -661.507 Base-Backbone interact. energy: -1.617 local terms energy: -658.931915 where: bonds (distance) C4'-P energy: -120.629 bonds (distance) P-C4' energy: -130.958 flat angles C4'-P-C4' energy: -133.526 flat angles P-C4'-P energy: -93.423 tors. eta vs tors. theta energy: -180.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1977.809735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.809735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.809735 (E_RNA) where: Base-Base interactions energy: -1352.392 where: short stacking energy: -602.570 Base-Backbone interact. energy: -1.162 local terms energy: -624.255375 where: bonds (distance) C4'-P energy: -115.766 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -149.495 flat angles P-C4'-P energy: -89.546 tors. eta vs tors. theta energy: -158.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1963.105380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.105380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.105380 (E_RNA) where: Base-Base interactions energy: -1372.069 where: short stacking energy: -575.037 Base-Backbone interact. energy: -2.782 local terms energy: -588.253754 where: bonds (distance) C4'-P energy: -99.095 bonds (distance) P-C4' energy: -127.070 flat angles C4'-P-C4' energy: -134.669 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -148.234 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: 8, replica: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1868.574407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.574407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.574407 (E_RNA) where: Base-Base interactions energy: -1290.458 where: short stacking energy: -531.243 Base-Backbone interact. energy: -4.501 local terms energy: -573.615149 where: bonds (distance) C4'-P energy: -115.012 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -125.341 flat angles P-C4'-P energy: -80.401 tors. eta vs tors. theta energy: -130.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1641.483502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.483502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.483502 (E_RNA) where: Base-Base interactions energy: -1122.520 where: short stacking energy: -466.465 Base-Backbone interact. energy: -2.685 local terms energy: -516.278024 where: bonds (distance) C4'-P energy: -114.063 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -115.481 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -107.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1247.582016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.582016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.582016 (E_RNA) where: Base-Base interactions energy: -790.493 where: short stacking energy: -364.108 Base-Backbone interact. energy: 0.633 local terms energy: -457.721377 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -128.096 flat angles C4'-P-C4' energy: -111.677 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -51.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2535.802993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.802993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.802993 (E_RNA) where: Base-Base interactions energy: -1765.103 where: short stacking energy: -762.780 Base-Backbone interact. energy: -2.212 local terms energy: -768.487995 where: bonds (distance) C4'-P energy: -143.033 bonds (distance) P-C4' energy: -141.283 flat angles C4'-P-C4' energy: -165.733 flat angles P-C4'-P energy: -106.072 tors. eta vs tors. theta energy: -212.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2465.443208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.443208 (E_RNA) where: Base-Base interactions energy: -1732.618 where: short stacking energy: -714.121 Base-Backbone interact. energy: -2.577 local terms energy: -730.247444 where: bonds (distance) C4'-P energy: -132.622 bonds (distance) P-C4' energy: -146.481 flat angles C4'-P-C4' energy: -152.789 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -206.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2367.596829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.596829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.596829 (E_RNA) where: Base-Base interactions energy: -1654.057 where: short stacking energy: -691.988 Base-Backbone interact. energy: -2.100 local terms energy: -711.439592 where: bonds (distance) C4'-P energy: -108.320 bonds (distance) P-C4' energy: -131.140 flat angles C4'-P-C4' energy: -161.957 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -210.113 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: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2231.930026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.930026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.930026 (E_RNA) where: Base-Base interactions energy: -1530.769 where: short stacking energy: -667.756 Base-Backbone interact. energy: -1.002 local terms energy: -700.158774 where: bonds (distance) C4'-P energy: -131.180 bonds (distance) P-C4' energy: -136.441 flat angles C4'-P-C4' energy: -140.086 flat angles P-C4'-P energy: -101.164 tors. eta vs tors. theta energy: -191.288 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: 475 Temperature: 1.100000 Total energy: -2167.973145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.973145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.973145 (E_RNA) where: Base-Base interactions energy: -1472.139 where: short stacking energy: -673.475 Base-Backbone interact. energy: -6.059 local terms energy: -689.775588 where: bonds (distance) C4'-P energy: -127.773 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -131.855 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -198.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1992.607679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.607679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.607679 (E_RNA) where: Base-Base interactions energy: -1365.422 where: short stacking energy: -627.735 Base-Backbone interact. energy: -2.437 local terms energy: -624.748102 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -124.971 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -88.956 tors. eta vs tors. theta energy: -167.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1943.232609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.232609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.232609 (E_RNA) where: Base-Base interactions energy: -1376.618 where: short stacking energy: -594.514 Base-Backbone interact. energy: -1.449 local terms energy: -565.165636 where: bonds (distance) C4'-P energy: -107.581 bonds (distance) P-C4' energy: -105.675 flat angles C4'-P-C4' energy: -123.898 flat angles P-C4'-P energy: -86.686 tors. eta vs tors. theta energy: -141.326 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: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1854.405452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.405452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.405452 (E_RNA) where: Base-Base interactions energy: -1270.988 where: short stacking energy: -544.680 Base-Backbone interact. energy: -1.355 local terms energy: -582.062437 where: bonds (distance) C4'-P energy: -120.447 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -123.403 flat angles P-C4'-P energy: -71.755 tors. eta vs tors. theta energy: -127.666 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: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1623.227245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.227245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.227245 (E_RNA) where: Base-Base interactions energy: -1094.583 where: short stacking energy: -465.558 Base-Backbone interact. energy: -0.848 local terms energy: -527.795630 where: bonds (distance) C4'-P energy: -103.898 bonds (distance) P-C4' energy: -116.579 flat angles C4'-P-C4' energy: -117.062 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -104.236 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1221.982814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.982814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.982814 (E_RNA) where: Base-Base interactions energy: -791.750 where: short stacking energy: -356.332 Base-Backbone interact. energy: 4.272 local terms energy: -434.504518 where: bonds (distance) C4'-P energy: -96.033 bonds (distance) P-C4' energy: -111.455 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -71.452 tors. eta vs tors. theta energy: -49.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2486.534248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.534248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.534248 (E_RNA) where: Base-Base interactions energy: -1739.759 where: short stacking energy: -757.258 Base-Backbone interact. energy: -3.620 local terms energy: -743.155424 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -143.091 flat angles C4'-P-C4' energy: -156.958 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -209.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2452.837404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.837404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.837404 (E_RNA) where: Base-Base interactions energy: -1716.507 where: short stacking energy: -694.072 Base-Backbone interact. energy: -1.556 local terms energy: -734.774303 where: bonds (distance) C4'-P energy: -128.785 bonds (distance) P-C4' energy: -148.565 flat angles C4'-P-C4' energy: -163.781 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: -198.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2369.973962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.973962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.973962 (E_RNA) where: Base-Base interactions energy: -1645.964 where: short stacking energy: -693.906 Base-Backbone interact. energy: -0.340 local terms energy: -723.670683 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -140.822 flat angles C4'-P-C4' energy: -147.325 flat angles P-C4'-P energy: -107.206 tors. eta vs tors. theta energy: -200.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2234.920178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.920178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.920178 (E_RNA) where: Base-Base interactions energy: -1565.609 where: short stacking energy: -654.773 Base-Backbone interact. energy: -2.528 local terms energy: -666.783627 where: bonds (distance) C4'-P energy: -121.995 bonds (distance) P-C4' energy: -128.203 flat angles C4'-P-C4' energy: -140.841 flat angles P-C4'-P energy: -97.724 tors. eta vs tors. theta energy: -178.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2182.944349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.944349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.944349 (E_RNA) where: Base-Base interactions energy: -1523.898 where: short stacking energy: -669.704 Base-Backbone interact. energy: 5.166 local terms energy: -664.211709 where: bonds (distance) C4'-P energy: -116.578 bonds (distance) P-C4' energy: -121.561 flat angles C4'-P-C4' energy: -134.804 flat angles P-C4'-P energy: -102.712 tors. eta vs tors. theta energy: -188.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1942.168735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.168735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.168735 (E_RNA) where: Base-Base interactions energy: -1311.734 where: short stacking energy: -613.082 Base-Backbone interact. energy: -0.406 local terms energy: -630.028257 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -117.155 flat angles C4'-P-C4' energy: -132.011 flat angles P-C4'-P energy: -92.517 tors. eta vs tors. theta energy: -169.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1917.754251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.754251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.754251 (E_RNA) where: Base-Base interactions energy: -1327.874 where: short stacking energy: -585.849 Base-Backbone interact. energy: -2.378 local terms energy: -587.502982 where: bonds (distance) C4'-P energy: -121.608 bonds (distance) P-C4' energy: -124.079 flat angles C4'-P-C4' energy: -114.434 flat angles P-C4'-P energy: -80.546 tors. eta vs tors. theta energy: -146.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1838.045820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.045820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.045820 (E_RNA) where: Base-Base interactions energy: -1273.269 where: short stacking energy: -555.117 Base-Backbone interact. energy: -0.718 local terms energy: -564.058702 where: bonds (distance) C4'-P energy: -129.207 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -115.838 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: -130.030 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1583.582194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.582194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.582194 (E_RNA) where: Base-Base interactions energy: -1103.389 where: short stacking energy: -453.220 Base-Backbone interact. energy: 1.054 local terms energy: -481.247534 where: bonds (distance) C4'-P energy: -124.926 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -102.960 flat angles P-C4'-P energy: -52.784 tors. eta vs tors. theta energy: -104.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1247.006640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.006640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.006640 (E_RNA) where: Base-Base interactions energy: -827.063 where: short stacking energy: -392.340 Base-Backbone interact. energy: 2.419 local terms energy: -422.362511 where: bonds (distance) C4'-P energy: -99.783 bonds (distance) P-C4' energy: -105.558 flat angles C4'-P-C4' energy: -99.419 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -56.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2511.670203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.670203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.670203 (E_RNA) where: Base-Base interactions energy: -1748.319 where: short stacking energy: -755.680 Base-Backbone interact. energy: -1.413 local terms energy: -761.938631 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -146.951 flat angles C4'-P-C4' energy: -170.598 flat angles P-C4'-P energy: -101.013 tors. eta vs tors. theta energy: -202.007 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: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2451.895082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.895082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.895082 (E_RNA) where: Base-Base interactions energy: -1741.104 where: short stacking energy: -727.353 Base-Backbone interact. energy: -4.462 local terms energy: -706.328935 where: bonds (distance) C4'-P energy: -136.871 bonds (distance) P-C4' energy: -127.810 flat angles C4'-P-C4' energy: -150.034 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -196.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2357.307022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.307022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.307022 (E_RNA) where: Base-Base interactions energy: -1636.874 where: short stacking energy: -711.940 Base-Backbone interact. energy: -3.352 local terms energy: -717.081324 where: bonds (distance) C4'-P energy: -133.134 bonds (distance) P-C4' energy: -126.536 flat angles C4'-P-C4' energy: -146.822 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -206.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2200.673677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.673677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.673677 (E_RNA) where: Base-Base interactions energy: -1548.213 where: short stacking energy: -684.803 Base-Backbone interact. energy: -1.938 local terms energy: -650.522894 where: bonds (distance) C4'-P energy: -115.425 bonds (distance) P-C4' energy: -113.412 flat angles C4'-P-C4' energy: -154.397 flat angles P-C4'-P energy: -93.921 tors. eta vs tors. theta energy: -173.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2144.796514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.796514 (E_RNA) where: Base-Base interactions energy: -1528.727 where: short stacking energy: -614.359 Base-Backbone interact. energy: -2.108 local terms energy: -613.960808 where: bonds (distance) C4'-P energy: -122.704 bonds (distance) P-C4' energy: -102.252 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -83.781 tors. eta vs tors. theta energy: -157.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1971.649103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.649103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.649103 (E_RNA) where: Base-Base interactions energy: -1354.571 where: short stacking energy: -614.018 Base-Backbone interact. energy: -1.733 local terms energy: -615.344867 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -120.620 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -82.510 tors. eta vs tors. theta energy: -145.729 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: 8 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1934.130867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.130867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.130867 (E_RNA) where: Base-Base interactions energy: -1316.979 where: short stacking energy: -591.654 Base-Backbone interact. energy: -0.198 local terms energy: -616.953747 where: bonds (distance) C4'-P energy: -115.922 bonds (distance) P-C4' energy: -128.002 flat angles C4'-P-C4' energy: -131.571 flat angles P-C4'-P energy: -87.823 tors. eta vs tors. theta energy: -153.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1866.598277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.598277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.598277 (E_RNA) where: Base-Base interactions energy: -1307.919 where: short stacking energy: -578.899 Base-Backbone interact. energy: -2.294 local terms energy: -556.385161 where: bonds (distance) C4'-P energy: -104.302 bonds (distance) P-C4' energy: -123.897 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -67.844 tors. eta vs tors. theta energy: -134.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1592.893790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.893790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.893790 (E_RNA) where: Base-Base interactions energy: -1089.077 where: short stacking energy: -476.814 Base-Backbone interact. energy: -0.015 local terms energy: -503.801871 where: bonds (distance) C4'-P energy: -101.474 bonds (distance) P-C4' energy: -107.936 flat angles C4'-P-C4' energy: -124.915 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -107.795 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: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1283.331060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.331060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.331060 (E_RNA) where: Base-Base interactions energy: -849.587 where: short stacking energy: -407.496 Base-Backbone interact. energy: 3.399 local terms energy: -437.143585 where: bonds (distance) C4'-P energy: -100.085 bonds (distance) P-C4' energy: -101.163 flat angles C4'-P-C4' energy: -109.568 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -57.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2522.447241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.447241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.447241 (E_RNA) where: Base-Base interactions energy: -1769.956 where: short stacking energy: -752.185 Base-Backbone interact. energy: -0.426 local terms energy: -752.065458 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -143.316 flat angles C4'-P-C4' energy: -154.911 flat angles P-C4'-P energy: -96.415 tors. eta vs tors. theta energy: -210.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2449.342584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.342584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.342584 (E_RNA) where: Base-Base interactions energy: -1723.255 where: short stacking energy: -734.631 Base-Backbone interact. energy: -0.529 local terms energy: -725.558293 where: bonds (distance) C4'-P energy: -140.066 bonds (distance) P-C4' energy: -134.104 flat angles C4'-P-C4' energy: -147.811 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -197.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2396.595050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.595050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.595050 (E_RNA) where: Base-Base interactions energy: -1640.925 where: short stacking energy: -703.172 Base-Backbone interact. energy: -5.572 local terms energy: -750.098234 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -127.159 flat angles C4'-P-C4' energy: -162.646 flat angles P-C4'-P energy: -102.816 tors. eta vs tors. theta energy: -212.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2230.540690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.540690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.540690 (E_RNA) where: Base-Base interactions energy: -1553.134 where: short stacking energy: -687.409 Base-Backbone interact. energy: -1.609 local terms energy: -675.798293 where: bonds (distance) C4'-P energy: -123.754 bonds (distance) P-C4' energy: -122.292 flat angles C4'-P-C4' energy: -150.725 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -195.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2141.539249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.539249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.539249 (E_RNA) where: Base-Base interactions energy: -1502.168 where: short stacking energy: -654.947 Base-Backbone interact. energy: -2.025 local terms energy: -637.346363 where: bonds (distance) C4'-P energy: -108.864 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -144.865 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -177.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1957.102401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.102401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.102401 (E_RNA) where: Base-Base interactions energy: -1379.307 where: short stacking energy: -602.154 Base-Backbone interact. energy: -2.828 local terms energy: -574.967451 where: bonds (distance) C4'-P energy: -102.239 bonds (distance) P-C4' energy: -131.974 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -79.886 tors. eta vs tors. theta energy: -150.701 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: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1932.305182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.305182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.305182 (E_RNA) where: Base-Base interactions energy: -1354.595 where: short stacking energy: -589.826 Base-Backbone interact. energy: -4.039 local terms energy: -573.671546 where: bonds (distance) C4'-P energy: -92.550 bonds (distance) P-C4' energy: -115.045 flat angles C4'-P-C4' energy: -132.800 flat angles P-C4'-P energy: -78.091 tors. eta vs tors. theta energy: -155.185 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: 478 Temperature: 1.250000 Total energy: -1841.715101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.715101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.715101 (E_RNA) where: Base-Base interactions energy: -1290.254 where: short stacking energy: -522.521 Base-Backbone interact. energy: -3.714 local terms energy: -547.746901 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -69.525 tors. eta vs tors. theta energy: -117.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1564.445221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.445221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.445221 (E_RNA) where: Base-Base interactions energy: -1058.739 where: short stacking energy: -462.807 Base-Backbone interact. energy: -4.347 local terms energy: -501.359296 where: bonds (distance) C4'-P energy: -106.579 bonds (distance) P-C4' energy: -109.320 flat angles C4'-P-C4' energy: -121.012 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -95.942 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: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1221.384562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.384562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.384562 (E_RNA) where: Base-Base interactions energy: -774.252 where: short stacking energy: -334.988 Base-Backbone interact. energy: -0.578 local terms energy: -446.554863 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -113.180 flat angles C4'-P-C4' energy: -98.650 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -54.948 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: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2545.622332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.622332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.622332 (E_RNA) where: Base-Base interactions energy: -1781.032 where: short stacking energy: -734.534 Base-Backbone interact. energy: -2.871 local terms energy: -761.719862 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -164.595 flat angles P-C4'-P energy: -104.983 tors. eta vs tors. theta energy: -214.531 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: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2420.874818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.874818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.874818 (E_RNA) where: Base-Base interactions energy: -1693.652 where: short stacking energy: -740.127 Base-Backbone interact. energy: 2.157 local terms energy: -729.379264 where: bonds (distance) C4'-P energy: -135.355 bonds (distance) P-C4' energy: -125.274 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -107.332 tors. eta vs tors. theta energy: -206.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2394.127704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.127704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.127704 (E_RNA) where: Base-Base interactions energy: -1665.265 where: short stacking energy: -730.738 Base-Backbone interact. energy: -4.000 local terms energy: -724.861786 where: bonds (distance) C4'-P energy: -117.830 bonds (distance) P-C4' energy: -127.749 flat angles C4'-P-C4' energy: -154.937 flat angles P-C4'-P energy: -105.486 tors. eta vs tors. theta energy: -218.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2197.013441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.013441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.013441 (E_RNA) where: Base-Base interactions energy: -1519.437 where: short stacking energy: -671.027 Base-Backbone interact. energy: -3.629 local terms energy: -673.947947 where: bonds (distance) C4'-P energy: -112.421 bonds (distance) P-C4' energy: -116.986 flat angles C4'-P-C4' energy: -147.764 flat angles P-C4'-P energy: -99.699 tors. eta vs tors. theta energy: -197.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2177.066568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.066568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.066568 (E_RNA) where: Base-Base interactions energy: -1521.018 where: short stacking energy: -651.564 Base-Backbone interact. energy: -1.259 local terms energy: -654.789193 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -139.429 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -168.611 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2039.330055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.330055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.330055 (E_RNA) where: Base-Base interactions energy: -1438.116 where: short stacking energy: -660.347 Base-Backbone interact. energy: -1.797 local terms energy: -599.417282 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -113.911 flat angles C4'-P-C4' energy: -142.166 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -155.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1906.952211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.952211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.952211 (E_RNA) where: Base-Base interactions energy: -1317.303 where: short stacking energy: -581.749 Base-Backbone interact. energy: 5.129 local terms energy: -594.778355 where: bonds (distance) C4'-P energy: -117.641 bonds (distance) P-C4' energy: -129.976 flat angles C4'-P-C4' energy: -132.222 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -145.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1804.605711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.605711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.605711 (E_RNA) where: Base-Base interactions energy: -1278.284 where: short stacking energy: -535.206 Base-Backbone interact. energy: -0.364 local terms energy: -525.957043 where: bonds (distance) C4'-P energy: -88.485 bonds (distance) P-C4' energy: -126.204 flat angles C4'-P-C4' energy: -118.823 flat angles P-C4'-P energy: -68.456 tors. eta vs tors. theta energy: -123.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1608.246346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.246346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.246346 (E_RNA) where: Base-Base interactions energy: -1088.104 where: short stacking energy: -474.035 Base-Backbone interact. energy: -1.237 local terms energy: -518.905454 where: bonds (distance) C4'-P energy: -124.430 bonds (distance) P-C4' energy: -115.527 flat angles C4'-P-C4' energy: -121.345 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: -92.536 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: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1238.704016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.704016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.704016 (E_RNA) where: Base-Base interactions energy: -805.172 where: short stacking energy: -345.494 Base-Backbone interact. energy: 1.755 local terms energy: -435.286916 where: bonds (distance) C4'-P energy: -102.915 bonds (distance) P-C4' energy: -120.876 flat angles C4'-P-C4' energy: -84.287 flat angles P-C4'-P energy: -71.536 tors. eta vs tors. theta energy: -55.673 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: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2540.656809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.656809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.656809 (E_RNA) where: Base-Base interactions energy: -1788.688 where: short stacking energy: -735.969 Base-Backbone interact. energy: -0.523 local terms energy: -751.446221 where: bonds (distance) C4'-P energy: -143.094 bonds (distance) P-C4' energy: -137.481 flat angles C4'-P-C4' energy: -165.334 flat angles P-C4'-P energy: -104.312 tors. eta vs tors. theta energy: -201.224 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: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2446.189422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.189422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.189422 (E_RNA) where: Base-Base interactions energy: -1746.901 where: short stacking energy: -730.799 Base-Backbone interact. energy: -3.284 local terms energy: -696.004506 where: bonds (distance) C4'-P energy: -131.858 bonds (distance) P-C4' energy: -117.406 flat angles C4'-P-C4' energy: -152.916 flat angles P-C4'-P energy: -86.404 tors. eta vs tors. theta energy: -207.421 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: 480 Temperature: 1.000000 Total energy: -2368.448742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.448742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.448742 (E_RNA) where: Base-Base interactions energy: -1645.441 where: short stacking energy: -730.045 Base-Backbone interact. energy: -2.069 local terms energy: -720.938509 where: bonds (distance) C4'-P energy: -122.971 bonds (distance) P-C4' energy: -138.544 flat angles C4'-P-C4' energy: -150.133 flat angles P-C4'-P energy: -104.630 tors. eta vs tors. theta energy: -204.660 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: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2232.237164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.237164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.237164 (E_RNA) where: Base-Base interactions energy: -1565.537 where: short stacking energy: -672.418 Base-Backbone interact. energy: -0.665 local terms energy: -666.034896 where: bonds (distance) C4'-P energy: -120.635 bonds (distance) P-C4' energy: -132.003 flat angles C4'-P-C4' energy: -144.172 flat angles P-C4'-P energy: -73.034 tors. eta vs tors. theta energy: -196.192 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: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2141.170275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.170275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.170275 (E_RNA) where: Base-Base interactions energy: -1500.948 where: short stacking energy: -648.048 Base-Backbone interact. energy: -4.039 local terms energy: -636.183361 where: bonds (distance) C4'-P energy: -101.361 bonds (distance) P-C4' energy: -129.005 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -83.026 tors. eta vs tors. theta energy: -178.532 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: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2090.817344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.817344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.817344 (E_RNA) where: Base-Base interactions energy: -1459.085 where: short stacking energy: -660.034 Base-Backbone interact. energy: -0.001 local terms energy: -631.731944 where: bonds (distance) C4'-P energy: -114.130 bonds (distance) P-C4' energy: -110.680 flat angles C4'-P-C4' energy: -145.534 flat angles P-C4'-P energy: -86.485 tors. eta vs tors. theta energy: -174.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1926.558045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.558045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.558045 (E_RNA) where: Base-Base interactions energy: -1336.524 where: short stacking energy: -558.457 Base-Backbone interact. energy: -7.479 local terms energy: -582.555291 where: bonds (distance) C4'-P energy: -116.177 bonds (distance) P-C4' energy: -120.596 flat angles C4'-P-C4' energy: -119.645 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -153.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1818.970218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.970218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.970218 (E_RNA) where: Base-Base interactions energy: -1255.912 where: short stacking energy: -526.009 Base-Backbone interact. energy: -1.793 local terms energy: -561.265166 where: bonds (distance) C4'-P energy: -103.762 bonds (distance) P-C4' energy: -129.862 flat angles C4'-P-C4' energy: -124.029 flat angles P-C4'-P energy: -78.529 tors. eta vs tors. theta energy: -125.083 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: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1570.797000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.797000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.797000 (E_RNA) where: Base-Base interactions energy: -1106.925 where: short stacking energy: -455.648 Base-Backbone interact. energy: 5.358 local terms energy: -469.230930 where: bonds (distance) C4'-P energy: -100.342 bonds (distance) P-C4' energy: -100.609 flat angles C4'-P-C4' energy: -130.157 flat angles P-C4'-P energy: -53.985 tors. eta vs tors. theta energy: -84.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1181.945284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.945284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.945284 (E_RNA) where: Base-Base interactions energy: -778.908 where: short stacking energy: -352.832 Base-Backbone interact. energy: -1.815 local terms energy: -401.221646 where: bonds (distance) C4'-P energy: -103.261 bonds (distance) P-C4' energy: -82.096 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -49.316 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: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2542.208561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.208561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.208561 (E_RNA) where: Base-Base interactions energy: -1807.550 where: short stacking energy: -735.210 Base-Backbone interact. energy: -2.615 local terms energy: -732.043371 where: bonds (distance) C4'-P energy: -133.373 bonds (distance) P-C4' energy: -141.340 flat angles C4'-P-C4' energy: -154.247 flat angles P-C4'-P energy: -99.472 tors. eta vs tors. theta energy: -203.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2503.533181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.533181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.533181 (E_RNA) where: Base-Base interactions energy: -1799.755 where: short stacking energy: -780.973 Base-Backbone interact. energy: 3.521 local terms energy: -707.299539 where: bonds (distance) C4'-P energy: -112.597 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -151.562 flat angles P-C4'-P energy: -84.226 tors. eta vs tors. theta energy: -223.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2382.078020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.078020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.078020 (E_RNA) where: Base-Base interactions energy: -1660.035 where: short stacking energy: -712.366 Base-Backbone interact. energy: -1.937 local terms energy: -720.105832 where: bonds (distance) C4'-P energy: -135.520 bonds (distance) P-C4' energy: -116.309 flat angles C4'-P-C4' energy: -151.475 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -210.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2282.465483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.465483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.465483 (E_RNA) where: Base-Base interactions energy: -1581.053 where: short stacking energy: -686.266 Base-Backbone interact. energy: -0.832 local terms energy: -700.580574 where: bonds (distance) C4'-P energy: -121.129 bonds (distance) P-C4' energy: -137.488 flat angles C4'-P-C4' energy: -151.820 flat angles P-C4'-P energy: -100.398 tors. eta vs tors. theta energy: -189.746 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: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2103.750602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.750602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.750602 (E_RNA) where: Base-Base interactions energy: -1482.154 where: short stacking energy: -640.558 Base-Backbone interact. energy: 0.130 local terms energy: -621.725830 where: bonds (distance) C4'-P energy: -111.377 bonds (distance) P-C4' energy: -125.873 flat angles C4'-P-C4' energy: -119.811 flat angles P-C4'-P energy: -99.104 tors. eta vs tors. theta energy: -165.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2006.778208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.778208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.778208 (E_RNA) where: Base-Base interactions energy: -1406.657 where: short stacking energy: -625.130 Base-Backbone interact. energy: -1.156 local terms energy: -598.965438 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -109.523 flat angles C4'-P-C4' energy: -137.480 flat angles P-C4'-P energy: -86.042 tors. eta vs tors. theta energy: -173.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1861.345367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.345367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.345367 (E_RNA) where: Base-Base interactions energy: -1306.752 where: short stacking energy: -550.217 Base-Backbone interact. energy: -0.647 local terms energy: -553.946431 where: bonds (distance) C4'-P energy: -95.500 bonds (distance) P-C4' energy: -117.142 flat angles C4'-P-C4' energy: -121.253 flat angles P-C4'-P energy: -92.276 tors. eta vs tors. theta energy: -127.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1838.191020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.191020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.191020 (E_RNA) where: Base-Base interactions energy: -1271.893 where: short stacking energy: -514.545 Base-Backbone interact. energy: 0.170 local terms energy: -566.467975 where: bonds (distance) C4'-P energy: -111.923 bonds (distance) P-C4' energy: -108.447 flat angles C4'-P-C4' energy: -121.538 flat angles P-C4'-P energy: -91.402 tors. eta vs tors. theta energy: -133.158 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: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1550.361953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.361953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.361953 (E_RNA) where: Base-Base interactions energy: -1065.123 where: short stacking energy: -459.569 Base-Backbone interact. energy: -1.773 local terms energy: -483.466475 where: bonds (distance) C4'-P energy: -91.998 bonds (distance) P-C4' energy: -101.226 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: -91.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1098.113713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.113713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.113713 (E_RNA) where: Base-Base interactions energy: -716.142 where: short stacking energy: -303.358 Base-Backbone interact. energy: 5.113 local terms energy: -387.084843 where: bonds (distance) C4'-P energy: -103.154 bonds (distance) P-C4' energy: -101.619 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -31.513 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: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2546.588386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.588386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.588386 (E_RNA) where: Base-Base interactions energy: -1798.593 where: short stacking energy: -745.745 Base-Backbone interact. energy: -2.968 local terms energy: -745.028106 where: bonds (distance) C4'-P energy: -139.300 bonds (distance) P-C4' energy: -138.500 flat angles C4'-P-C4' energy: -153.618 flat angles P-C4'-P energy: -101.020 tors. eta vs tors. theta energy: -212.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2476.685517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.685517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.685517 (E_RNA) where: Base-Base interactions energy: -1756.791 where: short stacking energy: -768.194 Base-Backbone interact. energy: -3.233 local terms energy: -716.660722 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -129.470 flat angles C4'-P-C4' energy: -146.231 flat angles P-C4'-P energy: -103.188 tors. eta vs tors. theta energy: -213.152 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: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2365.964863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.964863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.964863 (E_RNA) where: Base-Base interactions energy: -1660.715 where: short stacking energy: -725.484 Base-Backbone interact. energy: -2.544 local terms energy: -702.705796 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -119.431 flat angles C4'-P-C4' energy: -167.181 flat angles P-C4'-P energy: -101.213 tors. eta vs tors. theta energy: -192.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2268.538393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.538393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.538393 (E_RNA) where: Base-Base interactions energy: -1583.601 where: short stacking energy: -693.017 Base-Backbone interact. energy: -0.352 local terms energy: -684.585469 where: bonds (distance) C4'-P energy: -118.824 bonds (distance) P-C4' energy: -146.051 flat angles C4'-P-C4' energy: -148.277 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -197.807 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: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2141.533483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.533483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.533483 (E_RNA) where: Base-Base interactions energy: -1519.231 where: short stacking energy: -636.751 Base-Backbone interact. energy: 0.548 local terms energy: -622.850600 where: bonds (distance) C4'-P energy: -123.407 bonds (distance) P-C4' energy: -121.032 flat angles C4'-P-C4' energy: -143.220 flat angles P-C4'-P energy: -90.460 tors. eta vs tors. theta energy: -144.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2022.970603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.970603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.970603 (E_RNA) where: Base-Base interactions energy: -1418.566 where: short stacking energy: -628.587 Base-Backbone interact. energy: -0.344 local terms energy: -604.061016 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -108.145 flat angles C4'-P-C4' energy: -159.096 flat angles P-C4'-P energy: -75.529 tors. eta vs tors. theta energy: -157.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1923.081128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.081128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.081128 (E_RNA) where: Base-Base interactions energy: -1350.926 where: short stacking energy: -597.775 Base-Backbone interact. energy: -0.751 local terms energy: -571.404499 where: bonds (distance) C4'-P energy: -110.605 bonds (distance) P-C4' energy: -95.323 flat angles C4'-P-C4' energy: -142.078 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -144.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1855.615919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.615919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.615919 (E_RNA) where: Base-Base interactions energy: -1317.753 where: short stacking energy: -555.123 Base-Backbone interact. energy: -3.011 local terms energy: -534.852504 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -120.586 flat angles C4'-P-C4' energy: -115.100 flat angles P-C4'-P energy: -69.138 tors. eta vs tors. theta energy: -134.486 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: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1557.996901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.996901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.996901 (E_RNA) where: Base-Base interactions energy: -1057.619 where: short stacking energy: -435.897 Base-Backbone interact. energy: -2.535 local terms energy: -497.842945 where: bonds (distance) C4'-P energy: -101.228 bonds (distance) P-C4' energy: -116.510 flat angles C4'-P-C4' energy: -108.394 flat angles P-C4'-P energy: -77.359 tors. eta vs tors. theta energy: -94.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1153.848621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.848621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.848621 (E_RNA) where: Base-Base interactions energy: -778.109 where: short stacking energy: -315.299 Base-Backbone interact. energy: 7.349 local terms energy: -383.087984 where: bonds (distance) C4'-P energy: -96.532 bonds (distance) P-C4' energy: -99.131 flat angles C4'-P-C4' energy: -87.447 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -28.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2529.668182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.668182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.668182 (E_RNA) where: Base-Base interactions energy: -1772.211 where: short stacking energy: -724.577 Base-Backbone interact. energy: -2.171 local terms energy: -755.286279 where: bonds (distance) C4'-P energy: -141.445 bonds (distance) P-C4' energy: -143.913 flat angles C4'-P-C4' energy: -156.506 flat angles P-C4'-P energy: -111.170 tors. eta vs tors. theta energy: -202.252 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2489.115682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.115682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.115682 (E_RNA) where: Base-Base interactions energy: -1739.909 where: short stacking energy: -735.514 Base-Backbone interact. energy: -3.332 local terms energy: -745.874705 where: bonds (distance) C4'-P energy: -134.699 bonds (distance) P-C4' energy: -141.638 flat angles C4'-P-C4' energy: -157.471 flat angles P-C4'-P energy: -102.627 tors. eta vs tors. theta energy: -209.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2373.237264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.237264 (E_RNA) where: Base-Base interactions energy: -1647.998 where: short stacking energy: -686.815 Base-Backbone interact. energy: -2.994 local terms energy: -722.245328 where: bonds (distance) C4'-P energy: -126.387 bonds (distance) P-C4' energy: -142.773 flat angles C4'-P-C4' energy: -147.930 flat angles P-C4'-P energy: -105.891 tors. eta vs tors. theta energy: -199.266 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: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2263.484862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.484862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.484862 (E_RNA) where: Base-Base interactions energy: -1551.041 where: short stacking energy: -694.577 Base-Backbone interact. energy: -1.305 local terms energy: -711.138252 where: bonds (distance) C4'-P energy: -140.123 bonds (distance) P-C4' energy: -109.094 flat angles C4'-P-C4' energy: -159.994 flat angles P-C4'-P energy: -94.046 tors. eta vs tors. theta energy: -207.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2112.619055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.619055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.619055 (E_RNA) where: Base-Base interactions energy: -1514.931 where: short stacking energy: -637.243 Base-Backbone interact. energy: -0.763 local terms energy: -596.924552 where: bonds (distance) C4'-P energy: -115.249 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -121.113 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -165.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1995.469744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.469744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.469744 (E_RNA) where: Base-Base interactions energy: -1400.062 where: short stacking energy: -592.272 Base-Backbone interact. energy: -0.798 local terms energy: -594.610065 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -120.032 flat angles C4'-P-C4' energy: -132.284 flat angles P-C4'-P energy: -98.868 tors. eta vs tors. theta energy: -140.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1978.291227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.291227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.291227 (E_RNA) where: Base-Base interactions energy: -1394.855 where: short stacking energy: -571.344 Base-Backbone interact. energy: -5.153 local terms energy: -578.282867 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -141.652 flat angles P-C4'-P energy: -70.448 tors. eta vs tors. theta energy: -143.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1840.525430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.525430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.525430 (E_RNA) where: Base-Base interactions energy: -1268.282 where: short stacking energy: -549.788 Base-Backbone interact. energy: 4.054 local terms energy: -576.297565 where: bonds (distance) C4'-P energy: -111.642 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -129.027 flat angles P-C4'-P energy: -66.069 tors. eta vs tors. theta energy: -142.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1534.787563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.787563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.787563 (E_RNA) where: Base-Base interactions energy: -1060.583 where: short stacking energy: -449.154 Base-Backbone interact. energy: 2.572 local terms energy: -476.776128 where: bonds (distance) C4'-P energy: -93.841 bonds (distance) P-C4' energy: -110.494 flat angles C4'-P-C4' energy: -109.851 flat angles P-C4'-P energy: -77.103 tors. eta vs tors. theta energy: -85.486 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: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1170.456695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.456695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.456695 (E_RNA) where: Base-Base interactions energy: -743.908 where: short stacking energy: -351.556 Base-Backbone interact. energy: -2.473 local terms energy: -424.075754 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -101.125 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -47.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2501.585526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.585526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.585526 (E_RNA) where: Base-Base interactions energy: -1758.327 where: short stacking energy: -740.396 Base-Backbone interact. energy: -2.450 local terms energy: -740.808814 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -143.821 flat angles C4'-P-C4' energy: -150.859 flat angles P-C4'-P energy: -108.219 tors. eta vs tors. theta energy: -217.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2484.258949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.258949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.258949 (E_RNA) where: Base-Base interactions energy: -1725.568 where: short stacking energy: -732.854 Base-Backbone interact. energy: -4.773 local terms energy: -753.918461 where: bonds (distance) C4'-P energy: -127.764 bonds (distance) P-C4' energy: -140.916 flat angles C4'-P-C4' energy: -159.024 flat angles P-C4'-P energy: -111.721 tors. eta vs tors. theta energy: -214.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2366.733433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.733433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.733433 (E_RNA) where: Base-Base interactions energy: -1662.628 where: short stacking energy: -722.168 Base-Backbone interact. energy: -4.260 local terms energy: -699.845170 where: bonds (distance) C4'-P energy: -130.393 bonds (distance) P-C4' energy: -119.749 flat angles C4'-P-C4' energy: -143.301 flat angles P-C4'-P energy: -99.724 tors. eta vs tors. theta energy: -206.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2201.063690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.063690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.063690 (E_RNA) where: Base-Base interactions energy: -1526.241 where: short stacking energy: -676.355 Base-Backbone interact. energy: -2.395 local terms energy: -672.427963 where: bonds (distance) C4'-P energy: -121.089 bonds (distance) P-C4' energy: -126.888 flat angles C4'-P-C4' energy: -144.709 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -192.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2134.579479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.579479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.579479 (E_RNA) where: Base-Base interactions energy: -1491.219 where: short stacking energy: -630.460 Base-Backbone interact. energy: -2.910 local terms energy: -640.451332 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -125.038 flat angles C4'-P-C4' energy: -137.558 flat angles P-C4'-P energy: -86.482 tors. eta vs tors. theta energy: -171.410 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: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2019.601704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.601704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.601704 (E_RNA) where: Base-Base interactions energy: -1439.391 where: short stacking energy: -610.690 Base-Backbone interact. energy: -1.551 local terms energy: -578.659543 where: bonds (distance) C4'-P energy: -111.466 bonds (distance) P-C4' energy: -107.828 flat angles C4'-P-C4' energy: -122.976 flat angles P-C4'-P energy: -80.798 tors. eta vs tors. theta energy: -155.590 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: 484 Temperature: 1.200000 Total energy: -1963.555385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.555385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.555385 (E_RNA) where: Base-Base interactions energy: -1371.510 where: short stacking energy: -590.707 Base-Backbone interact. energy: -2.645 local terms energy: -589.401000 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -99.847 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -87.928 tors. eta vs tors. theta energy: -155.721 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: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1814.410056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.410056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.410056 (E_RNA) where: Base-Base interactions energy: -1238.193 where: short stacking energy: -525.601 Base-Backbone interact. energy: -1.668 local terms energy: -574.549014 where: bonds (distance) C4'-P energy: -95.908 bonds (distance) P-C4' energy: -143.325 flat angles C4'-P-C4' energy: -132.900 flat angles P-C4'-P energy: -86.982 tors. eta vs tors. theta energy: -115.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1550.427144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.427144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.427144 (E_RNA) where: Base-Base interactions energy: -1054.041 where: short stacking energy: -463.117 Base-Backbone interact. energy: -1.544 local terms energy: -494.841472 where: bonds (distance) C4'-P energy: -117.203 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -119.159 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -66.203 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: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1129.367400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.367400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.367400 (E_RNA) where: Base-Base interactions energy: -718.108 where: short stacking energy: -330.988 Base-Backbone interact. energy: 1.830 local terms energy: -413.089101 where: bonds (distance) C4'-P energy: -106.155 bonds (distance) P-C4' energy: -97.008 flat angles C4'-P-C4' energy: -114.955 flat angles P-C4'-P energy: -65.183 tors. eta vs tors. theta energy: -29.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2545.857562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.857562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.857562 (E_RNA) where: Base-Base interactions energy: -1781.984 where: short stacking energy: -764.943 Base-Backbone interact. energy: -1.908 local terms energy: -761.965775 where: bonds (distance) C4'-P energy: -145.405 bonds (distance) P-C4' energy: -135.637 flat angles C4'-P-C4' energy: -156.662 flat angles P-C4'-P energy: -112.851 tors. eta vs tors. theta energy: -211.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2391.665784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.665784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.665784 (E_RNA) where: Base-Base interactions energy: -1665.058 where: short stacking energy: -702.702 Base-Backbone interact. energy: 0.017 local terms energy: -726.624889 where: bonds (distance) C4'-P energy: -135.473 bonds (distance) P-C4' energy: -126.095 flat angles C4'-P-C4' energy: -156.497 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -204.957 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: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2399.179929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.179929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.179929 (E_RNA) where: Base-Base interactions energy: -1678.685 where: short stacking energy: -755.212 Base-Backbone interact. energy: -3.998 local terms energy: -716.496671 where: bonds (distance) C4'-P energy: -120.996 bonds (distance) P-C4' energy: -139.213 flat angles C4'-P-C4' energy: -148.221 flat angles P-C4'-P energy: -101.416 tors. eta vs tors. theta energy: -206.651 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: 485 Temperature: 1.050000 Total energy: -2220.604389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.604389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.604389 (E_RNA) where: Base-Base interactions energy: -1541.251 where: short stacking energy: -704.816 Base-Backbone interact. energy: 1.099 local terms energy: -680.451795 where: bonds (distance) C4'-P energy: -123.320 bonds (distance) P-C4' energy: -127.135 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -193.022 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: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2119.164106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.164106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.164106 (E_RNA) where: Base-Base interactions energy: -1489.130 where: short stacking energy: -624.242 Base-Backbone interact. energy: -1.867 local terms energy: -628.166940 where: bonds (distance) C4'-P energy: -119.143 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -133.244 flat angles P-C4'-P energy: -86.937 tors. eta vs tors. theta energy: -153.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2057.449960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.449960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.449960 (E_RNA) where: Base-Base interactions energy: -1432.582 where: short stacking energy: -629.149 Base-Backbone interact. energy: -3.667 local terms energy: -621.200327 where: bonds (distance) C4'-P energy: -121.585 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -134.669 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -146.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2003.920788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.920788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.920788 (E_RNA) where: Base-Base interactions energy: -1407.860 where: short stacking energy: -606.308 Base-Backbone interact. energy: 1.130 local terms energy: -597.190321 where: bonds (distance) C4'-P energy: -118.794 bonds (distance) P-C4' energy: -122.580 flat angles C4'-P-C4' energy: -136.900 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -143.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1810.272243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.272243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.272243 (E_RNA) where: Base-Base interactions energy: -1259.685 where: short stacking energy: -533.287 Base-Backbone interact. energy: 3.487 local terms energy: -554.074254 where: bonds (distance) C4'-P energy: -95.798 bonds (distance) P-C4' energy: -106.091 flat angles C4'-P-C4' energy: -139.452 flat angles P-C4'-P energy: -80.364 tors. eta vs tors. theta energy: -132.369 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: 485 Temperature: 1.300000 Total energy: -1591.347967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.347967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.347967 (E_RNA) where: Base-Base interactions energy: -1087.986 where: short stacking energy: -476.839 Base-Backbone interact. energy: -0.527 local terms energy: -502.835555 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -112.052 flat angles C4'-P-C4' energy: -122.432 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: -106.865 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: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1173.411768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.411768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.411768 (E_RNA) where: Base-Base interactions energy: -735.156 where: short stacking energy: -338.910 Base-Backbone interact. energy: -1.459 local terms energy: -436.797283 where: bonds (distance) C4'-P energy: -99.326 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -108.777 flat angles P-C4'-P energy: -47.889 tors. eta vs tors. theta energy: -53.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2517.262667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.262667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.262667 (E_RNA) where: Base-Base interactions energy: -1770.478 where: short stacking energy: -732.690 Base-Backbone interact. energy: -2.243 local terms energy: -744.541815 where: bonds (distance) C4'-P energy: -147.134 bonds (distance) P-C4' energy: -146.326 flat angles C4'-P-C4' energy: -150.873 flat angles P-C4'-P energy: -92.698 tors. eta vs tors. theta energy: -207.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2421.901525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.901525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.901525 (E_RNA) where: Base-Base interactions energy: -1685.881 where: short stacking energy: -711.064 Base-Backbone interact. energy: -5.100 local terms energy: -730.920361 where: bonds (distance) C4'-P energy: -134.891 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -103.519 tors. eta vs tors. theta energy: -201.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2416.670401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.670401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.670401 (E_RNA) where: Base-Base interactions energy: -1698.139 where: short stacking energy: -745.230 Base-Backbone interact. energy: 4.394 local terms energy: -722.925701 where: bonds (distance) C4'-P energy: -126.723 bonds (distance) P-C4' energy: -128.756 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -110.848 tors. eta vs tors. theta energy: -204.809 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: 10 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2208.421193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.421193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.421193 (E_RNA) where: Base-Base interactions energy: -1518.549 where: short stacking energy: -677.456 Base-Backbone interact. energy: -1.107 local terms energy: -688.764912 where: bonds (distance) C4'-P energy: -120.281 bonds (distance) P-C4' energy: -127.791 flat angles C4'-P-C4' energy: -153.574 flat angles P-C4'-P energy: -100.484 tors. eta vs tors. theta energy: -186.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2115.968780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.968780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.968780 (E_RNA) where: Base-Base interactions energy: -1461.085 where: short stacking energy: -641.421 Base-Backbone interact. energy: -1.808 local terms energy: -653.075145 where: bonds (distance) C4'-P energy: -114.837 bonds (distance) P-C4' energy: -138.894 flat angles C4'-P-C4' energy: -135.446 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: -167.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2000.056273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.056273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.056273 (E_RNA) where: Base-Base interactions energy: -1407.945 where: short stacking energy: -589.236 Base-Backbone interact. energy: -1.286 local terms energy: -590.824962 where: bonds (distance) C4'-P energy: -103.902 bonds (distance) P-C4' energy: -106.128 flat angles C4'-P-C4' energy: -133.695 flat angles P-C4'-P energy: -92.270 tors. eta vs tors. theta energy: -154.830 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: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1932.165008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.165008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.165008 (E_RNA) where: Base-Base interactions energy: -1361.586 where: short stacking energy: -613.580 Base-Backbone interact. energy: -0.509 local terms energy: -570.070729 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -113.811 flat angles C4'-P-C4' energy: -109.362 flat angles P-C4'-P energy: -88.595 tors. eta vs tors. theta energy: -156.945 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: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1795.606264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.606264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.606264 (E_RNA) where: Base-Base interactions energy: -1256.383 where: short stacking energy: -540.389 Base-Backbone interact. energy: 0.868 local terms energy: -540.091333 where: bonds (distance) C4'-P energy: -107.808 bonds (distance) P-C4' energy: -108.981 flat angles C4'-P-C4' energy: -133.135 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -124.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1568.520022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.520022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.520022 (E_RNA) where: Base-Base interactions energy: -1052.768 where: short stacking energy: -444.251 Base-Backbone interact. energy: -1.193 local terms energy: -514.558840 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -127.157 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -77.400 tors. eta vs tors. theta energy: -93.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1184.607936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.607936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.607936 (E_RNA) where: Base-Base interactions energy: -759.415 where: short stacking energy: -335.233 Base-Backbone interact. energy: 1.285 local terms energy: -426.477350 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -102.288 flat angles C4'-P-C4' energy: -119.799 flat angles P-C4'-P energy: -56.706 tors. eta vs tors. theta energy: -40.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2527.062031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.062031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.062031 (E_RNA) where: Base-Base interactions energy: -1780.134 where: short stacking energy: -757.990 Base-Backbone interact. energy: -2.051 local terms energy: -744.876395 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -137.169 flat angles C4'-P-C4' energy: -167.856 flat angles P-C4'-P energy: -103.571 tors. eta vs tors. theta energy: -205.795 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: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2424.290088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.290088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.290088 (E_RNA) where: Base-Base interactions energy: -1685.079 where: short stacking energy: -704.053 Base-Backbone interact. energy: -5.408 local terms energy: -733.802296 where: bonds (distance) C4'-P energy: -134.927 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -159.765 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -194.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2339.084639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.084639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.084639 (E_RNA) where: Base-Base interactions energy: -1623.398 where: short stacking energy: -676.392 Base-Backbone interact. energy: -4.408 local terms energy: -711.278110 where: bonds (distance) C4'-P energy: -136.124 bonds (distance) P-C4' energy: -134.312 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -104.781 tors. eta vs tors. theta energy: -184.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2247.938160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.938160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.938160 (E_RNA) where: Base-Base interactions energy: -1570.227 where: short stacking energy: -683.182 Base-Backbone interact. energy: -2.820 local terms energy: -674.890501 where: bonds (distance) C4'-P energy: -128.448 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -191.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2137.377086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.377086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.377086 (E_RNA) where: Base-Base interactions energy: -1515.824 where: short stacking energy: -669.334 Base-Backbone interact. energy: 2.816 local terms energy: -624.368887 where: bonds (distance) C4'-P energy: -114.155 bonds (distance) P-C4' energy: -118.496 flat angles C4'-P-C4' energy: -140.376 flat angles P-C4'-P energy: -84.584 tors. eta vs tors. theta energy: -166.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2045.471579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.471579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.471579 (E_RNA) where: Base-Base interactions energy: -1410.873 where: short stacking energy: -604.386 Base-Backbone interact. energy: -2.098 local terms energy: -632.500637 where: bonds (distance) C4'-P energy: -97.455 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -144.756 flat angles P-C4'-P energy: -91.614 tors. eta vs tors. theta energy: -160.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1975.323764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.323764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.323764 (E_RNA) where: Base-Base interactions energy: -1374.948 where: short stacking energy: -579.812 Base-Backbone interact. energy: -2.262 local terms energy: -598.113627 where: bonds (distance) C4'-P energy: -112.054 bonds (distance) P-C4' energy: -120.978 flat angles C4'-P-C4' energy: -133.560 flat angles P-C4'-P energy: -85.898 tors. eta vs tors. theta energy: -145.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1776.186279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.186279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.186279 (E_RNA) where: Base-Base interactions energy: -1220.131 where: short stacking energy: -523.401 Base-Backbone interact. energy: -2.201 local terms energy: -553.854059 where: bonds (distance) C4'-P energy: -99.448 bonds (distance) P-C4' energy: -106.930 flat angles C4'-P-C4' energy: -139.759 flat angles P-C4'-P energy: -79.428 tors. eta vs tors. theta energy: -128.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1578.745018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.745018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.745018 (E_RNA) where: Base-Base interactions energy: -1041.372 where: short stacking energy: -463.924 Base-Backbone interact. energy: -1.845 local terms energy: -535.527766 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -110.325 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -101.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1257.806124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.806124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.806124 (E_RNA) where: Base-Base interactions energy: -782.992 where: short stacking energy: -367.856 Base-Backbone interact. energy: -3.609 local terms energy: -471.205383 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -118.447 flat angles P-C4'-P energy: -70.836 tors. eta vs tors. theta energy: -63.716 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: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2543.182061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.182061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.182061 (E_RNA) where: Base-Base interactions energy: -1803.701 where: short stacking energy: -744.155 Base-Backbone interact. energy: -3.414 local terms energy: -736.067644 where: bonds (distance) C4'-P energy: -124.585 bonds (distance) P-C4' energy: -138.324 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -107.306 tors. eta vs tors. theta energy: -212.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2410.948964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.948964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.948964 (E_RNA) where: Base-Base interactions energy: -1677.041 where: short stacking energy: -719.108 Base-Backbone interact. energy: -4.285 local terms energy: -729.623361 where: bonds (distance) C4'-P energy: -134.339 bonds (distance) P-C4' energy: -140.662 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -103.918 tors. eta vs tors. theta energy: -202.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2368.542277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.542277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.542277 (E_RNA) where: Base-Base interactions energy: -1681.118 where: short stacking energy: -708.204 Base-Backbone interact. energy: -4.595 local terms energy: -682.828534 where: bonds (distance) C4'-P energy: -125.488 bonds (distance) P-C4' energy: -133.959 flat angles C4'-P-C4' energy: -139.032 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -189.895 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: 488 Temperature: 1.050000 Total energy: -2240.337850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.337850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.337850 (E_RNA) where: Base-Base interactions energy: -1528.615 where: short stacking energy: -677.331 Base-Backbone interact. energy: -0.028 local terms energy: -711.695321 where: bonds (distance) C4'-P energy: -130.311 bonds (distance) P-C4' energy: -136.365 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -106.827 tors. eta vs tors. theta energy: -194.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2133.869537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.869537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.869537 (E_RNA) where: Base-Base interactions energy: -1488.083 where: short stacking energy: -654.800 Base-Backbone interact. energy: -1.016 local terms energy: -644.770984 where: bonds (distance) C4'-P energy: -129.982 bonds (distance) P-C4' energy: -119.836 flat angles C4'-P-C4' energy: -137.209 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -167.302 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: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2082.973097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.973097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.973097 (E_RNA) where: Base-Base interactions energy: -1439.273 where: short stacking energy: -601.864 Base-Backbone interact. energy: 0.371 local terms energy: -644.070930 where: bonds (distance) C4'-P energy: -125.674 bonds (distance) P-C4' energy: -126.390 flat angles C4'-P-C4' energy: -136.023 flat angles P-C4'-P energy: -104.297 tors. eta vs tors. theta energy: -151.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1964.063267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.063267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.063267 (E_RNA) where: Base-Base interactions energy: -1365.383 where: short stacking energy: -567.278 Base-Backbone interact. energy: -0.932 local terms energy: -597.748358 where: bonds (distance) C4'-P energy: -112.903 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -132.531 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -140.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1864.021025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.021025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.021025 (E_RNA) where: Base-Base interactions energy: -1282.342 where: short stacking energy: -546.792 Base-Backbone interact. energy: -2.991 local terms energy: -578.687553 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -126.475 flat angles C4'-P-C4' energy: -136.789 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -144.944 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: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1573.123010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.123010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.123010 (E_RNA) where: Base-Base interactions energy: -1053.397 where: short stacking energy: -458.675 Base-Backbone interact. energy: -2.466 local terms energy: -517.260123 where: bonds (distance) C4'-P energy: -101.289 bonds (distance) P-C4' energy: -119.732 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -101.660 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: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1284.891479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.891479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.891479 (E_RNA) where: Base-Base interactions energy: -860.237 where: short stacking energy: -369.774 Base-Backbone interact. energy: -4.173 local terms energy: -420.481967 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -106.596 flat angles C4'-P-C4' energy: -95.059 flat angles P-C4'-P energy: -62.549 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2541.958658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.958658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.958658 (E_RNA) where: Base-Base interactions energy: -1805.030 where: short stacking energy: -727.875 Base-Backbone interact. energy: -6.211 local terms energy: -730.717683 where: bonds (distance) C4'-P energy: -126.910 bonds (distance) P-C4' energy: -148.688 flat angles C4'-P-C4' energy: -154.582 flat angles P-C4'-P energy: -95.548 tors. eta vs tors. theta energy: -204.989 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: 9 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2415.263816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.263816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.263816 (E_RNA) where: Base-Base interactions energy: -1686.407 where: short stacking energy: -716.935 Base-Backbone interact. energy: -2.689 local terms energy: -726.168052 where: bonds (distance) C4'-P energy: -121.730 bonds (distance) P-C4' energy: -139.990 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -201.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2378.875834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.875834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.875834 (E_RNA) where: Base-Base interactions energy: -1660.294 where: short stacking energy: -708.360 Base-Backbone interact. energy: -2.818 local terms energy: -715.763284 where: bonds (distance) C4'-P energy: -121.134 bonds (distance) P-C4' energy: -150.487 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -93.199 tors. eta vs tors. theta energy: -199.980 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: 10 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2245.494560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.494560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.494560 (E_RNA) where: Base-Base interactions energy: -1538.122 where: short stacking energy: -687.927 Base-Backbone interact. energy: -1.236 local terms energy: -706.136236 where: bonds (distance) C4'-P energy: -118.680 bonds (distance) P-C4' energy: -132.025 flat angles C4'-P-C4' energy: -158.466 flat angles P-C4'-P energy: -103.764 tors. eta vs tors. theta energy: -193.202 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: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2143.276366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.276366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.276366 (E_RNA) where: Base-Base interactions energy: -1481.086 where: short stacking energy: -641.721 Base-Backbone interact. energy: -3.476 local terms energy: -658.714346 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -140.820 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -97.139 tors. eta vs tors. theta energy: -168.577 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: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2050.210912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.210912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.210912 (E_RNA) where: Base-Base interactions energy: -1448.229 where: short stacking energy: -614.100 Base-Backbone interact. energy: -1.729 local terms energy: -600.252695 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -131.162 flat angles P-C4'-P energy: -83.271 tors. eta vs tors. theta energy: -167.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1905.472897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.472897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.472897 (E_RNA) where: Base-Base interactions energy: -1350.248 where: short stacking energy: -576.635 Base-Backbone interact. energy: -2.306 local terms energy: -552.918220 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -108.624 flat angles C4'-P-C4' energy: -125.606 flat angles P-C4'-P energy: -83.756 tors. eta vs tors. theta energy: -130.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1860.638245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.638245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.638245 (E_RNA) where: Base-Base interactions energy: -1290.332 where: short stacking energy: -570.598 Base-Backbone interact. energy: -1.312 local terms energy: -568.993984 where: bonds (distance) C4'-P energy: -108.625 bonds (distance) P-C4' energy: -108.417 flat angles C4'-P-C4' energy: -112.070 flat angles P-C4'-P energy: -95.711 tors. eta vs tors. theta energy: -144.171 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: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1666.135349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.135349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.135349 (E_RNA) where: Base-Base interactions energy: -1111.473 where: short stacking energy: -498.643 Base-Backbone interact. energy: -0.172 local terms energy: -554.489846 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -113.596 flat angles C4'-P-C4' energy: -124.419 flat angles P-C4'-P energy: -75.640 tors. eta vs tors. theta energy: -125.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1271.197949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.197949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.197949 (E_RNA) where: Base-Base interactions energy: -824.391 where: short stacking energy: -345.680 Base-Backbone interact. energy: 0.485 local terms energy: -447.292075 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -119.482 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: -49.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2558.572940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.572940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.572940 (E_RNA) where: Base-Base interactions energy: -1813.982 where: short stacking energy: -760.224 Base-Backbone interact. energy: -2.286 local terms energy: -742.305536 where: bonds (distance) C4'-P energy: -132.611 bonds (distance) P-C4' energy: -140.630 flat angles C4'-P-C4' energy: -157.949 flat angles P-C4'-P energy: -102.905 tors. eta vs tors. theta energy: -208.211 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: 9 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2395.648520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.648520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.648520 (E_RNA) where: Base-Base interactions energy: -1658.529 where: short stacking energy: -697.823 Base-Backbone interact. energy: -0.607 local terms energy: -736.512068 where: bonds (distance) C4'-P energy: -131.058 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -150.603 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -205.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2387.327486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.327486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.327486 (E_RNA) where: Base-Base interactions energy: -1674.692 where: short stacking energy: -678.825 Base-Backbone interact. energy: -4.784 local terms energy: -707.851000 where: bonds (distance) C4'-P energy: -128.229 bonds (distance) P-C4' energy: -141.510 flat angles C4'-P-C4' energy: -163.182 flat angles P-C4'-P energy: -98.150 tors. eta vs tors. theta energy: -176.780 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: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2241.780235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.780235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.780235 (E_RNA) where: Base-Base interactions energy: -1564.840 where: short stacking energy: -662.496 Base-Backbone interact. energy: -0.329 local terms energy: -676.611223 where: bonds (distance) C4'-P energy: -103.182 bonds (distance) P-C4' energy: -116.441 flat angles C4'-P-C4' energy: -156.927 flat angles P-C4'-P energy: -105.468 tors. eta vs tors. theta energy: -194.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2134.227801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.227801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.227801 (E_RNA) where: Base-Base interactions energy: -1490.378 where: short stacking energy: -630.675 Base-Backbone interact. energy: -0.176 local terms energy: -643.673026 where: bonds (distance) C4'-P energy: -122.557 bonds (distance) P-C4' energy: -131.350 flat angles C4'-P-C4' energy: -136.499 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -157.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2046.623751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.623751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.623751 (E_RNA) where: Base-Base interactions energy: -1425.590 where: short stacking energy: -598.585 Base-Backbone interact. energy: -2.010 local terms energy: -619.023228 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -120.464 flat angles C4'-P-C4' energy: -130.501 flat angles P-C4'-P energy: -75.067 tors. eta vs tors. theta energy: -145.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1938.833893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.833893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.833893 (E_RNA) where: Base-Base interactions energy: -1338.856 where: short stacking energy: -549.607 Base-Backbone interact. energy: 0.942 local terms energy: -600.920676 where: bonds (distance) C4'-P energy: -116.382 bonds (distance) P-C4' energy: -116.179 flat angles C4'-P-C4' energy: -144.187 flat angles P-C4'-P energy: -85.730 tors. eta vs tors. theta energy: -138.443 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: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1819.841730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.841730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.841730 (E_RNA) where: Base-Base interactions energy: -1269.016 where: short stacking energy: -546.820 Base-Backbone interact. energy: -2.514 local terms energy: -548.311747 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -125.025 flat angles C4'-P-C4' energy: -113.232 flat angles P-C4'-P energy: -79.266 tors. eta vs tors. theta energy: -139.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1667.998588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.998588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.998588 (E_RNA) where: Base-Base interactions energy: -1158.135 where: short stacking energy: -503.561 Base-Backbone interact. energy: -1.684 local terms energy: -508.179315 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -125.143 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: -112.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1342.327420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.327420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.327420 (E_RNA) where: Base-Base interactions energy: -913.738 where: short stacking energy: -409.585 Base-Backbone interact. energy: -3.366 local terms energy: -425.223225 where: bonds (distance) C4'-P energy: -99.521 bonds (distance) P-C4' energy: -119.552 flat angles C4'-P-C4' energy: -90.701 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -65.316 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: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2542.109336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.109336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.109336 (E_RNA) where: Base-Base interactions energy: -1783.452 where: short stacking energy: -751.467 Base-Backbone interact. energy: -4.023 local terms energy: -754.634133 where: bonds (distance) C4'-P energy: -133.009 bonds (distance) P-C4' energy: -144.109 flat angles C4'-P-C4' energy: -154.643 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -213.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2470.230332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.230332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.230332 (E_RNA) where: Base-Base interactions energy: -1720.103 where: short stacking energy: -707.606 Base-Backbone interact. energy: -3.172 local terms energy: -746.955289 where: bonds (distance) C4'-P energy: -150.563 bonds (distance) P-C4' energy: -132.694 flat angles C4'-P-C4' energy: -161.469 flat angles P-C4'-P energy: -112.163 tors. eta vs tors. theta energy: -190.067 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: 491 Temperature: 1.000000 Total energy: -2375.213888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.213888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.213888 (E_RNA) where: Base-Base interactions energy: -1646.992 where: short stacking energy: -709.772 Base-Backbone interact. energy: -6.199 local terms energy: -722.022701 where: bonds (distance) C4'-P energy: -118.489 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -157.581 flat angles P-C4'-P energy: -107.304 tors. eta vs tors. theta energy: -203.354 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: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2259.309688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.309688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.309688 (E_RNA) where: Base-Base interactions energy: -1552.133 where: short stacking energy: -690.929 Base-Backbone interact. energy: 3.323 local terms energy: -710.498966 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -153.009 flat angles P-C4'-P energy: -109.480 tors. eta vs tors. theta energy: -188.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2131.862386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.862386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.862386 (E_RNA) where: Base-Base interactions energy: -1506.293 where: short stacking energy: -627.279 Base-Backbone interact. energy: -0.808 local terms energy: -624.761828 where: bonds (distance) C4'-P energy: -132.048 bonds (distance) P-C4' energy: -118.435 flat angles C4'-P-C4' energy: -142.221 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -161.533 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: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2040.735956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.735956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.735956 (E_RNA) where: Base-Base interactions energy: -1447.436 where: short stacking energy: -602.088 Base-Backbone interact. energy: -2.812 local terms energy: -590.487768 where: bonds (distance) C4'-P energy: -105.881 bonds (distance) P-C4' energy: -119.966 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -154.896 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: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1908.614003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.614003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.614003 (E_RNA) where: Base-Base interactions energy: -1344.866 where: short stacking energy: -580.427 Base-Backbone interact. energy: 3.300 local terms energy: -567.047728 where: bonds (distance) C4'-P energy: -111.419 bonds (distance) P-C4' energy: -114.879 flat angles C4'-P-C4' energy: -126.602 flat angles P-C4'-P energy: -71.186 tors. eta vs tors. theta energy: -142.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1815.627865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.627865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.627865 (E_RNA) where: Base-Base interactions energy: -1258.768 where: short stacking energy: -550.141 Base-Backbone interact. energy: -1.081 local terms energy: -555.779144 where: bonds (distance) C4'-P energy: -102.249 bonds (distance) P-C4' energy: -111.445 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -76.941 tors. eta vs tors. theta energy: -128.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1586.477276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.477276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.477276 (E_RNA) where: Base-Base interactions energy: -1079.584 where: short stacking energy: -475.354 Base-Backbone interact. energy: 2.604 local terms energy: -509.497345 where: bonds (distance) C4'-P energy: -111.887 bonds (distance) P-C4' energy: -121.393 flat angles C4'-P-C4' energy: -98.395 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -100.409 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: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1323.975261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.975261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.975261 (E_RNA) where: Base-Base interactions energy: -883.056 where: short stacking energy: -422.021 Base-Backbone interact. energy: -0.745 local terms energy: -440.174202 where: bonds (distance) C4'-P energy: -100.746 bonds (distance) P-C4' energy: -108.645 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: -71.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2516.934239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.934239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.934239 (E_RNA) where: Base-Base interactions energy: -1779.291 where: short stacking energy: -730.544 Base-Backbone interact. energy: -0.592 local terms energy: -737.051343 where: bonds (distance) C4'-P energy: -133.605 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -158.892 flat angles P-C4'-P energy: -106.869 tors. eta vs tors. theta energy: -200.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2457.963605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.963605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.963605 (E_RNA) where: Base-Base interactions energy: -1726.841 where: short stacking energy: -725.566 Base-Backbone interact. energy: -3.262 local terms energy: -727.860154 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -150.069 flat angles C4'-P-C4' energy: -142.968 flat angles P-C4'-P energy: -107.563 tors. eta vs tors. theta energy: -196.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2370.168423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.168423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.168423 (E_RNA) where: Base-Base interactions energy: -1655.968 where: short stacking energy: -696.703 Base-Backbone interact. energy: -4.784 local terms energy: -709.416435 where: bonds (distance) C4'-P energy: -124.682 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -156.420 flat angles P-C4'-P energy: -98.764 tors. eta vs tors. theta energy: -196.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2192.690481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.690481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.690481 (E_RNA) where: Base-Base interactions energy: -1520.689 where: short stacking energy: -664.116 Base-Backbone interact. energy: -1.804 local terms energy: -670.196963 where: bonds (distance) C4'-P energy: -124.917 bonds (distance) P-C4' energy: -127.587 flat angles C4'-P-C4' energy: -147.349 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -183.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2123.648319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.648319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.648319 (E_RNA) where: Base-Base interactions energy: -1486.319 where: short stacking energy: -633.231 Base-Backbone interact. energy: -0.729 local terms energy: -636.599945 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -119.862 flat angles C4'-P-C4' energy: -137.734 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -165.909 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: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2060.525892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.525892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.525892 (E_RNA) where: Base-Base interactions energy: -1468.774 where: short stacking energy: -622.198 Base-Backbone interact. energy: 0.832 local terms energy: -592.583908 where: bonds (distance) C4'-P energy: -108.153 bonds (distance) P-C4' energy: -103.343 flat angles C4'-P-C4' energy: -133.749 flat angles P-C4'-P energy: -88.903 tors. eta vs tors. theta energy: -158.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1958.494315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.494315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.494315 (E_RNA) where: Base-Base interactions energy: -1362.771 where: short stacking energy: -593.123 Base-Backbone interact. energy: -3.324 local terms energy: -592.399997 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -113.806 flat angles C4'-P-C4' energy: -130.585 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -150.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1882.152796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.152796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.152796 (E_RNA) where: Base-Base interactions energy: -1276.993 where: short stacking energy: -559.223 Base-Backbone interact. energy: -0.090 local terms energy: -605.069779 where: bonds (distance) C4'-P energy: -124.809 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -120.068 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -137.102 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: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1646.130311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.130311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.130311 (E_RNA) where: Base-Base interactions energy: -1141.792 where: short stacking energy: -470.233 Base-Backbone interact. energy: 4.951 local terms energy: -509.289419 where: bonds (distance) C4'-P energy: -124.156 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -108.050 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -107.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1249.978156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.978156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.978156 (E_RNA) where: Base-Base interactions energy: -817.643 where: short stacking energy: -327.523 Base-Backbone interact. energy: -2.171 local terms energy: -430.164551 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -95.055 flat angles C4'-P-C4' energy: -105.797 flat angles P-C4'-P energy: -76.503 tors. eta vs tors. theta energy: -40.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2530.858902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.858902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.858902 (E_RNA) where: Base-Base interactions energy: -1789.885 where: short stacking energy: -721.730 Base-Backbone interact. energy: -4.488 local terms energy: -736.485636 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -161.985 flat angles P-C4'-P energy: -100.541 tors. eta vs tors. theta energy: -204.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2419.754117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.754117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.754117 (E_RNA) where: Base-Base interactions energy: -1671.184 where: short stacking energy: -722.950 Base-Backbone interact. energy: -1.636 local terms energy: -746.934160 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -132.804 flat angles C4'-P-C4' energy: -163.575 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -207.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2383.898603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.898603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.898603 (E_RNA) where: Base-Base interactions energy: -1647.174 where: short stacking energy: -697.284 Base-Backbone interact. energy: -2.061 local terms energy: -734.663568 where: bonds (distance) C4'-P energy: -136.548 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -159.235 flat angles P-C4'-P energy: -114.667 tors. eta vs tors. theta energy: -190.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2208.698381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.698381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.698381 (E_RNA) where: Base-Base interactions energy: -1545.855 where: short stacking energy: -681.913 Base-Backbone interact. energy: -3.564 local terms energy: -659.279158 where: bonds (distance) C4'-P energy: -130.073 bonds (distance) P-C4' energy: -116.434 flat angles C4'-P-C4' energy: -133.383 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -187.664 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: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2162.262209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.262209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.262209 (E_RNA) where: Base-Base interactions energy: -1492.847 where: short stacking energy: -664.068 Base-Backbone interact. energy: 1.362 local terms energy: -670.777666 where: bonds (distance) C4'-P energy: -127.110 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -132.893 flat angles P-C4'-P energy: -85.299 tors. eta vs tors. theta energy: -186.272 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: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2070.509023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.509023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.509023 (E_RNA) where: Base-Base interactions energy: -1421.823 where: short stacking energy: -612.287 Base-Backbone interact. energy: 0.914 local terms energy: -649.599659 where: bonds (distance) C4'-P energy: -113.542 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -146.219 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: -164.848 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: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1903.934352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.934352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.934352 (E_RNA) where: Base-Base interactions energy: -1317.561 where: short stacking energy: -569.468 Base-Backbone interact. energy: -3.941 local terms energy: -582.432681 where: bonds (distance) C4'-P energy: -116.113 bonds (distance) P-C4' energy: -110.306 flat angles C4'-P-C4' energy: -125.437 flat angles P-C4'-P energy: -88.783 tors. eta vs tors. theta energy: -141.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1836.403514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.403514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.403514 (E_RNA) where: Base-Base interactions energy: -1276.276 where: short stacking energy: -557.047 Base-Backbone interact. energy: 1.458 local terms energy: -561.585754 where: bonds (distance) C4'-P energy: -101.258 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -121.050 flat angles P-C4'-P energy: -84.521 tors. eta vs tors. theta energy: -135.666 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: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1593.805469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.805469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.805469 (E_RNA) where: Base-Base interactions energy: -1106.634 where: short stacking energy: -471.463 Base-Backbone interact. energy: 3.109 local terms energy: -490.280205 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -116.984 flat angles C4'-P-C4' energy: -106.023 flat angles P-C4'-P energy: -83.852 tors. eta vs tors. theta energy: -90.084 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: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1262.629202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.629202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.629202 (E_RNA) where: Base-Base interactions energy: -826.395 where: short stacking energy: -377.228 Base-Backbone interact. energy: 3.503 local terms energy: -439.737308 where: bonds (distance) C4'-P energy: -97.124 bonds (distance) P-C4' energy: -90.649 flat angles C4'-P-C4' energy: -112.860 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -59.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2538.842454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.842454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.842454 (E_RNA) where: Base-Base interactions energy: -1779.601 where: short stacking energy: -759.213 Base-Backbone interact. energy: -2.183 local terms energy: -757.058247 where: bonds (distance) C4'-P energy: -134.930 bonds (distance) P-C4' energy: -134.324 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -119.343 tors. eta vs tors. theta energy: -206.341 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: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2408.450767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.450767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.450767 (E_RNA) where: Base-Base interactions energy: -1700.172 where: short stacking energy: -713.460 Base-Backbone interact. energy: 1.527 local terms energy: -709.805216 where: bonds (distance) C4'-P energy: -118.744 bonds (distance) P-C4' energy: -141.330 flat angles C4'-P-C4' energy: -152.309 flat angles P-C4'-P energy: -105.798 tors. eta vs tors. theta energy: -191.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2415.492196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.492196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.492196 (E_RNA) where: Base-Base interactions energy: -1718.843 where: short stacking energy: -712.156 Base-Backbone interact. energy: -4.845 local terms energy: -691.803602 where: bonds (distance) C4'-P energy: -124.849 bonds (distance) P-C4' energy: -131.301 flat angles C4'-P-C4' energy: -149.816 flat angles P-C4'-P energy: -98.101 tors. eta vs tors. theta energy: -187.737 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: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2229.189573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.189573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.189573 (E_RNA) where: Base-Base interactions energy: -1506.211 where: short stacking energy: -661.499 Base-Backbone interact. energy: -3.368 local terms energy: -719.610866 where: bonds (distance) C4'-P energy: -132.056 bonds (distance) P-C4' energy: -137.985 flat angles C4'-P-C4' energy: -152.612 flat angles P-C4'-P energy: -102.392 tors. eta vs tors. theta energy: -194.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2089.571624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.571624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.571624 (E_RNA) where: Base-Base interactions energy: -1459.422 where: short stacking energy: -629.438 Base-Backbone interact. energy: 1.791 local terms energy: -631.941582 where: bonds (distance) C4'-P energy: -119.680 bonds (distance) P-C4' energy: -106.387 flat angles C4'-P-C4' energy: -148.476 flat angles P-C4'-P energy: -88.708 tors. eta vs tors. theta energy: -168.690 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: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2076.621534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.621534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.621534 (E_RNA) where: Base-Base interactions energy: -1445.678 where: short stacking energy: -600.575 Base-Backbone interact. energy: -1.722 local terms energy: -629.222022 where: bonds (distance) C4'-P energy: -116.553 bonds (distance) P-C4' energy: -130.828 flat angles C4'-P-C4' energy: -131.942 flat angles P-C4'-P energy: -83.211 tors. eta vs tors. theta energy: -166.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1913.614186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.614186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.614186 (E_RNA) where: Base-Base interactions energy: -1340.315 where: short stacking energy: -560.243 Base-Backbone interact. energy: -0.495 local terms energy: -572.804898 where: bonds (distance) C4'-P energy: -122.636 bonds (distance) P-C4' energy: -107.217 flat angles C4'-P-C4' energy: -128.919 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -142.857 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: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1887.053401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.053401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.053401 (E_RNA) where: Base-Base interactions energy: -1305.728 where: short stacking energy: -568.785 Base-Backbone interact. energy: -0.108 local terms energy: -581.217171 where: bonds (distance) C4'-P energy: -100.596 bonds (distance) P-C4' energy: -108.803 flat angles C4'-P-C4' energy: -141.474 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -129.399 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: 494 Temperature: 1.300000 Total energy: -1600.679423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.679423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.679423 (E_RNA) where: Base-Base interactions energy: -1070.739 where: short stacking energy: -475.553 Base-Backbone interact. energy: -0.319 local terms energy: -529.621840 where: bonds (distance) C4'-P energy: -115.407 bonds (distance) P-C4' energy: -112.436 flat angles C4'-P-C4' energy: -135.205 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -107.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1213.245879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.245879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.245879 (E_RNA) where: Base-Base interactions energy: -792.430 where: short stacking energy: -361.697 Base-Backbone interact. energy: 6.813 local terms energy: -427.628961 where: bonds (distance) C4'-P energy: -102.298 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -102.200 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -34.580 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)